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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/150dsRNA-437ae4b3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/150dsRNA-437ae4b3/inputs/seq.fa: 1 curr_seq: _AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGCAUGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 1 Temperature: 1.200000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1229.212573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.212573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.212573 (E_RNA) where: Base-Base interactions energy: -61.763 where: short stacking energy: -61.763 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1452.903306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.903306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.903306 (E_RNA) where: Base-Base interactions energy: -605.766 where: short stacking energy: -602.341 Base-Backbone interact. energy: -0.053 local terms energy: -847.084513 where: bonds (distance) C4'-P energy: -190.126 bonds (distance) P-C4' energy: -192.628 flat angles C4'-P-C4' energy: -199.090 flat angles P-C4'-P energy: -111.805 tors. eta vs tors. theta energy: -153.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1325.047593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.047593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.047593 (E_RNA) where: Base-Base interactions energy: -530.478 where: short stacking energy: -527.787 Base-Backbone interact. energy: -0.205 local terms energy: -794.364788 where: bonds (distance) C4'-P energy: -187.368 bonds (distance) P-C4' energy: -190.954 flat angles C4'-P-C4' energy: -185.608 flat angles P-C4'-P energy: -104.366 tors. eta vs tors. theta energy: -126.068 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1269.756233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.756233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.756233 (E_RNA) where: Base-Base interactions energy: -496.511 where: short stacking energy: -493.793 Base-Backbone interact. energy: -0.366 local terms energy: -772.878473 where: bonds (distance) C4'-P energy: -171.298 bonds (distance) P-C4' energy: -194.630 flat angles C4'-P-C4' energy: -178.441 flat angles P-C4'-P energy: -92.208 tors. eta vs tors. theta energy: -136.301 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1232.935353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.935353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.935353 (E_RNA) where: Base-Base interactions energy: -113.894 where: short stacking energy: -113.894 Base-Backbone interact. energy: -0.000 local terms energy: -1119.040804 where: bonds (distance) C4'-P energy: -264.996 bonds (distance) P-C4' energy: -241.729 flat angles C4'-P-C4' energy: -222.901 flat angles P-C4'-P energy: -246.617 tors. eta vs tors. theta energy: -142.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1229.512779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.512779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.512779 (E_RNA) where: Base-Base interactions energy: -62.403 where: short stacking energy: -62.403 Base-Backbone interact. energy: -0.000 local terms energy: -1167.109116 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.283 flat angles C4'-P-C4' energy: -219.971 flat angles P-C4'-P energy: -251.888 tors. eta vs tors. theta energy: -134.609 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1229.512131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.512131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.512131 (E_RNA) where: Base-Base interactions energy: -62.403 where: short stacking energy: -62.403 Base-Backbone interact. energy: -0.000 local terms energy: -1167.109116 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.283 flat angles C4'-P-C4' energy: -219.971 flat angles P-C4'-P energy: -251.888 tors. eta vs tors. theta energy: -134.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1229.995467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.995467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.995467 (E_RNA) where: Base-Base interactions energy: -100.442 where: short stacking energy: -100.442 Base-Backbone interact. energy: -0.000 local terms energy: -1129.553042 where: bonds (distance) C4'-P energy: -275.536 bonds (distance) P-C4' energy: -248.329 flat angles C4'-P-C4' energy: -221.750 flat angles P-C4'-P energy: -245.348 tors. eta vs tors. theta energy: -138.589 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1229.259888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.259888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.259888 (E_RNA) where: Base-Base interactions energy: -62.401 where: short stacking energy: -62.401 Base-Backbone interact. energy: -0.000 local terms energy: -1166.858205 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.283 flat angles C4'-P-C4' energy: -219.683 flat angles P-C4'-P energy: -251.925 tors. eta vs tors. theta energy: -134.609 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1229.259203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.259203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.259203 (E_RNA) where: Base-Base interactions energy: -62.401 where: short stacking energy: -62.401 Base-Backbone interact. energy: -0.000 local terms energy: -1166.858205 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.283 flat angles C4'-P-C4' energy: -219.683 flat angles P-C4'-P energy: -251.925 tors. eta vs tors. theta energy: -134.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1229.258505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.258505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.258505 (E_RNA) where: Base-Base interactions energy: -62.400 where: short stacking energy: -62.400 Base-Backbone interact. energy: -0.000 local terms energy: -1166.858205 where: bonds (distance) C4'-P energy: -291.357 bonds (distance) P-C4' energy: -269.283 flat angles C4'-P-C4' energy: -219.683 flat angles P-C4'-P energy: -251.925 tors. eta vs tors. theta energy: -134.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1497.588272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.588272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.588272 (E_RNA) where: Base-Base interactions energy: -653.168 where: short stacking energy: -648.338 Base-Backbone interact. energy: -0.282 local terms energy: -844.138391 where: bonds (distance) C4'-P energy: -182.142 bonds (distance) P-C4' energy: -193.083 flat angles C4'-P-C4' energy: -195.200 flat angles P-C4'-P energy: -111.041 tors. eta vs tors. theta energy: -162.671 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1388.072003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.072003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.072003 (E_RNA) where: Base-Base interactions energy: -571.328 where: short stacking energy: -556.617 Base-Backbone interact. energy: 1.364 local terms energy: -818.107411 where: bonds (distance) C4'-P energy: -184.843 bonds (distance) P-C4' energy: -194.418 flat angles C4'-P-C4' energy: -198.874 flat angles P-C4'-P energy: -119.033 tors. eta vs tors. theta energy: -120.940 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: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1336.039602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.039602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.039602 (E_RNA) where: Base-Base interactions energy: -553.806 where: short stacking energy: -533.359 Base-Backbone interact. energy: -0.600 local terms energy: -781.632929 where: bonds (distance) C4'-P energy: -174.249 bonds (distance) P-C4' energy: -192.880 flat angles C4'-P-C4' energy: -188.201 flat angles P-C4'-P energy: -107.400 tors. eta vs tors. theta energy: -118.903 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1195.872544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.872544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.872544 (E_RNA) where: Base-Base interactions energy: -471.600 where: short stacking energy: -460.068 Base-Backbone interact. energy: -0.568 local terms energy: -723.704836 where: bonds (distance) C4'-P energy: -170.881 bonds (distance) P-C4' energy: -172.428 flat angles C4'-P-C4' energy: -174.102 flat angles P-C4'-P energy: -119.513 tors. eta vs tors. theta energy: -86.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1104.715456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.715456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.715456 (E_RNA) where: Base-Base interactions energy: -424.386 where: short stacking energy: -419.050 Base-Backbone interact. energy: 0.207 local terms energy: -680.536472 where: bonds (distance) C4'-P energy: -173.370 bonds (distance) P-C4' energy: -167.296 flat angles C4'-P-C4' energy: -149.609 flat angles P-C4'-P energy: -104.355 tors. eta vs tors. theta energy: -85.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1013.031448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.031448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.031448 (E_RNA) where: Base-Base interactions energy: -403.283 where: short stacking energy: -384.649 Base-Backbone interact. energy: 1.008 local terms energy: -610.756352 where: bonds (distance) C4'-P energy: -162.198 bonds (distance) P-C4' energy: -180.672 flat angles C4'-P-C4' energy: -120.687 flat angles P-C4'-P energy: -87.102 tors. eta vs tors. theta energy: -60.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -904.068728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.068728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.068728 (E_RNA) where: Base-Base interactions energy: -353.666 where: short stacking energy: -327.130 Base-Backbone interact. energy: -0.154 local terms energy: -550.249291 where: bonds (distance) C4'-P energy: -124.894 bonds (distance) P-C4' energy: -167.761 flat angles C4'-P-C4' energy: -121.493 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -59.012 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -868.247564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.247564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.247564 (E_RNA) where: Base-Base interactions energy: -304.232 where: short stacking energy: -296.779 Base-Backbone interact. energy: 3.686 local terms energy: -567.702393 where: bonds (distance) C4'-P energy: -149.546 bonds (distance) P-C4' energy: -155.547 flat angles C4'-P-C4' energy: -143.854 flat angles P-C4'-P energy: -92.382 tors. eta vs tors. theta energy: -26.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -784.799009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.799009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.799009 (E_RNA) where: Base-Base interactions energy: -276.269 where: short stacking energy: -257.859 Base-Backbone interact. energy: -0.379 local terms energy: -508.151015 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -165.457 flat angles C4'-P-C4' energy: -117.949 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -8.903 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -718.644698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.644698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.644698 (E_RNA) where: Base-Base interactions energy: -254.483 where: short stacking energy: -238.868 Base-Backbone interact. energy: 1.823 local terms energy: -465.984760 where: bonds (distance) C4'-P energy: -126.730 bonds (distance) P-C4' energy: -151.577 flat angles C4'-P-C4' energy: -152.420 flat angles P-C4'-P energy: -56.223 tors. eta vs tors. theta energy: 20.965 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1565.880967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.880967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.880967 (E_RNA) where: Base-Base interactions energy: -699.080 where: short stacking energy: -688.165 Base-Backbone interact. energy: -0.476 local terms energy: -866.324916 where: bonds (distance) C4'-P energy: -178.523 bonds (distance) P-C4' energy: -182.589 flat angles C4'-P-C4' energy: -212.436 flat angles P-C4'-P energy: -122.678 tors. eta vs tors. theta energy: -170.099 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1465.422057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.422057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.422057 (E_RNA) where: Base-Base interactions energy: -654.447 where: short stacking energy: -588.656 Base-Backbone interact. energy: -1.075 local terms energy: -809.900207 where: bonds (distance) C4'-P energy: -188.888 bonds (distance) P-C4' energy: -198.006 flat angles C4'-P-C4' energy: -167.011 flat angles P-C4'-P energy: -117.053 tors. eta vs tors. theta energy: -138.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1243.120263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.120263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.120263 (E_RNA) where: Base-Base interactions energy: -509.378 where: short stacking energy: -483.544 Base-Backbone interact. energy: -0.466 local terms energy: -733.276091 where: bonds (distance) C4'-P energy: -176.770 bonds (distance) P-C4' energy: -173.179 flat angles C4'-P-C4' energy: -173.475 flat angles P-C4'-P energy: -113.020 tors. eta vs tors. theta energy: -96.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1186.020728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.020728 (E_RNA) where: Base-Base interactions energy: -478.985 where: short stacking energy: -455.865 Base-Backbone interact. energy: 1.625 local terms energy: -708.660427 where: bonds (distance) C4'-P energy: -164.710 bonds (distance) P-C4' energy: -185.851 flat angles C4'-P-C4' energy: -164.704 flat angles P-C4'-P energy: -96.712 tors. eta vs tors. theta energy: -96.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1102.904491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.904491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.904491 (E_RNA) where: Base-Base interactions energy: -437.970 where: short stacking energy: -418.338 Base-Backbone interact. energy: -0.590 local terms energy: -664.343739 where: bonds (distance) C4'-P energy: -152.119 bonds (distance) P-C4' energy: -178.445 flat angles C4'-P-C4' energy: -170.550 flat angles P-C4'-P energy: -73.961 tors. eta vs tors. theta energy: -89.268 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -972.117785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.117785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.117785 (E_RNA) where: Base-Base interactions energy: -349.417 where: short stacking energy: -336.403 Base-Backbone interact. energy: -0.371 local terms energy: -622.330322 where: bonds (distance) C4'-P energy: -167.654 bonds (distance) P-C4' energy: -183.610 flat angles C4'-P-C4' energy: -138.084 flat angles P-C4'-P energy: -102.296 tors. eta vs tors. theta energy: -30.687 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: 4 Temperature: 1.200000 Total energy: -892.378127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.378127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.378127 (E_RNA) where: Base-Base interactions energy: -338.672 where: short stacking energy: -308.544 Base-Backbone interact. energy: 0.221 local terms energy: -553.927399 where: bonds (distance) C4'-P energy: -152.009 bonds (distance) P-C4' energy: -155.489 flat angles C4'-P-C4' energy: -159.036 flat angles P-C4'-P energy: -61.463 tors. eta vs tors. theta energy: -25.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -841.027680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.027680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.027680 (E_RNA) where: Base-Base interactions energy: -295.690 where: short stacking energy: -251.186 Base-Backbone interact. energy: 0.612 local terms energy: -545.950327 where: bonds (distance) C4'-P energy: -144.683 bonds (distance) P-C4' energy: -172.899 flat angles C4'-P-C4' energy: -146.182 flat angles P-C4'-P energy: -92.565 tors. eta vs tors. theta energy: 10.378 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: 4 Temperature: 1.300000 Total energy: -757.248137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.248137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.248137 (E_RNA) where: Base-Base interactions energy: -247.929 where: short stacking energy: -221.371 Base-Backbone interact. energy: 6.925 local terms energy: -516.243711 where: bonds (distance) C4'-P energy: -138.512 bonds (distance) P-C4' energy: -174.622 flat angles C4'-P-C4' energy: -133.619 flat angles P-C4'-P energy: -76.344 tors. eta vs tors. theta energy: 6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -732.324054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.324054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.324054 (E_RNA) where: Base-Base interactions energy: -284.366 where: short stacking energy: -213.495 Base-Backbone interact. energy: 1.615 local terms energy: -449.572894 where: bonds (distance) C4'-P energy: -129.602 bonds (distance) P-C4' energy: -156.233 flat angles C4'-P-C4' energy: -121.737 flat angles P-C4'-P energy: -68.577 tors. eta vs tors. theta energy: 26.577 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1534.515222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.515222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.515222 (E_RNA) where: Base-Base interactions energy: -655.084 where: short stacking energy: -627.269 Base-Backbone interact. energy: -1.031 local terms energy: -878.400102 where: bonds (distance) C4'-P energy: -188.910 bonds (distance) P-C4' energy: -187.216 flat angles C4'-P-C4' energy: -191.768 flat angles P-C4'-P energy: -147.149 tors. eta vs tors. theta energy: -163.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1485.746050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.746050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.746050 (E_RNA) where: Base-Base interactions energy: -662.729 where: short stacking energy: -588.472 Base-Backbone interact. energy: -1.405 local terms energy: -821.612483 where: bonds (distance) C4'-P energy: -168.136 bonds (distance) P-C4' energy: -198.736 flat angles C4'-P-C4' energy: -185.367 flat angles P-C4'-P energy: -133.080 tors. eta vs tors. theta energy: -136.294 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: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1298.381602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.381602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.381602 (E_RNA) where: Base-Base interactions energy: -564.829 where: short stacking energy: -529.607 Base-Backbone interact. energy: -1.388 local terms energy: -732.164134 where: bonds (distance) C4'-P energy: -166.310 bonds (distance) P-C4' energy: -182.751 flat angles C4'-P-C4' energy: -169.379 flat angles P-C4'-P energy: -108.673 tors. eta vs tors. theta energy: -105.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1227.138939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.138939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.138939 (E_RNA) where: Base-Base interactions energy: -543.239 where: short stacking energy: -408.749 Base-Backbone interact. energy: 1.263 local terms energy: -685.162785 where: bonds (distance) C4'-P energy: -169.920 bonds (distance) P-C4' energy: -172.965 flat angles C4'-P-C4' energy: -183.139 flat angles P-C4'-P energy: -99.276 tors. eta vs tors. theta energy: -59.863 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: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1254.069455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.069455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.069455 (E_RNA) where: Base-Base interactions energy: -575.727 where: short stacking energy: -437.706 Base-Backbone interact. energy: -2.224 local terms energy: -676.117520 where: bonds (distance) C4'-P energy: -158.344 bonds (distance) P-C4' energy: -166.309 flat angles C4'-P-C4' energy: -164.496 flat angles P-C4'-P energy: -107.628 tors. eta vs tors. theta energy: -79.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1014.454149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.454149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.454149 (E_RNA) where: Base-Base interactions energy: -381.897 where: short stacking energy: -330.766 Base-Backbone interact. energy: -1.026 local terms energy: -631.531713 where: bonds (distance) C4'-P energy: -168.217 bonds (distance) P-C4' energy: -161.842 flat angles C4'-P-C4' energy: -169.907 flat angles P-C4'-P energy: -92.579 tors. eta vs tors. theta energy: -38.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1068.813734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.813734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.813734 (E_RNA) where: Base-Base interactions energy: -472.328 where: short stacking energy: -339.555 Base-Backbone interact. energy: -2.399 local terms energy: -594.087120 where: bonds (distance) C4'-P energy: -152.965 bonds (distance) P-C4' energy: -167.345 flat angles C4'-P-C4' energy: -147.363 flat angles P-C4'-P energy: -84.832 tors. eta vs tors. theta energy: -41.581 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -834.609235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.609235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.609235 (E_RNA) where: Base-Base interactions energy: -314.288 where: short stacking energy: -228.410 Base-Backbone interact. energy: -1.242 local terms energy: -519.080088 where: bonds (distance) C4'-P energy: -165.023 bonds (distance) P-C4' energy: -154.069 flat angles C4'-P-C4' energy: -134.053 flat angles P-C4'-P energy: -82.071 tors. eta vs tors. theta energy: 16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -737.056760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.056760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.056760 (E_RNA) where: Base-Base interactions energy: -239.593 where: short stacking energy: -210.518 Base-Backbone interact. energy: -0.585 local terms energy: -496.879006 where: bonds (distance) C4'-P energy: -146.048 bonds (distance) P-C4' energy: -151.097 flat angles C4'-P-C4' energy: -145.348 flat angles P-C4'-P energy: -74.257 tors. eta vs tors. theta energy: 19.872 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -714.129491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.129491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.129491 (E_RNA) where: Base-Base interactions energy: -325.576 where: short stacking energy: -243.050 Base-Backbone interact. energy: 1.891 local terms energy: -390.444516 where: bonds (distance) C4'-P energy: -138.288 bonds (distance) P-C4' energy: -131.589 flat angles C4'-P-C4' energy: -112.083 flat angles P-C4'-P energy: -54.359 tors. eta vs tors. theta energy: 45.874 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1554.619611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.619611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.619611 (E_RNA) where: Base-Base interactions energy: -729.327 where: short stacking energy: -650.367 Base-Backbone interact. energy: 2.368 local terms energy: -827.660171 where: bonds (distance) C4'-P energy: -189.999 bonds (distance) P-C4' energy: -191.593 flat angles C4'-P-C4' energy: -194.133 flat angles P-C4'-P energy: -109.940 tors. eta vs tors. theta energy: -141.994 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: 6 Temperature: 0.950000 Total energy: -1507.545127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.545127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.545127 (E_RNA) where: Base-Base interactions energy: -676.882 where: short stacking energy: -595.008 Base-Backbone interact. energy: -1.344 local terms energy: -829.319199 where: bonds (distance) C4'-P energy: -175.938 bonds (distance) P-C4' energy: -192.049 flat angles C4'-P-C4' energy: -203.897 flat angles P-C4'-P energy: -128.625 tors. eta vs tors. theta energy: -128.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1304.690988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.690988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.690988 (E_RNA) where: Base-Base interactions energy: -565.413 where: short stacking energy: -502.849 Base-Backbone interact. energy: 0.491 local terms energy: -739.769149 where: bonds (distance) C4'-P energy: -167.868 bonds (distance) P-C4' energy: -190.220 flat angles C4'-P-C4' energy: -171.249 flat angles P-C4'-P energy: -120.234 tors. eta vs tors. theta energy: -90.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1366.562334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.562334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.562334 (E_RNA) where: Base-Base interactions energy: -673.045 where: short stacking energy: -510.551 Base-Backbone interact. energy: -2.394 local terms energy: -691.122754 where: bonds (distance) C4'-P energy: -169.966 bonds (distance) P-C4' energy: -162.483 flat angles C4'-P-C4' energy: -163.942 flat angles P-C4'-P energy: -107.734 tors. eta vs tors. theta energy: -86.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1368.643912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.643912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.643912 (E_RNA) where: Base-Base interactions energy: -668.479 where: short stacking energy: -462.377 Base-Backbone interact. energy: 0.805 local terms energy: -700.969380 where: bonds (distance) C4'-P energy: -132.286 bonds (distance) P-C4' energy: -178.877 flat angles C4'-P-C4' energy: -197.516 flat angles P-C4'-P energy: -112.405 tors. eta vs tors. theta energy: -79.885 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: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1153.875660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.875660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.875660 (E_RNA) where: Base-Base interactions energy: -511.826 where: short stacking energy: -385.594 Base-Backbone interact. energy: 6.289 local terms energy: -648.338420 where: bonds (distance) C4'-P energy: -161.481 bonds (distance) P-C4' energy: -189.529 flat angles C4'-P-C4' energy: -142.469 flat angles P-C4'-P energy: -102.569 tors. eta vs tors. theta energy: -52.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1236.098304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.098304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.098304 (E_RNA) where: Base-Base interactions energy: -643.425 where: short stacking energy: -379.951 Base-Backbone interact. energy: 3.786 local terms energy: -596.459864 where: bonds (distance) C4'-P energy: -167.146 bonds (distance) P-C4' energy: -164.139 flat angles C4'-P-C4' energy: -145.006 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -32.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -915.521234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.521234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.521234 (E_RNA) where: Base-Base interactions energy: -366.865 where: short stacking energy: -268.421 Base-Backbone interact. energy: -0.536 local terms energy: -548.120236 where: bonds (distance) C4'-P energy: -144.939 bonds (distance) P-C4' energy: -156.176 flat angles C4'-P-C4' energy: -134.415 flat angles P-C4'-P energy: -93.029 tors. eta vs tors. theta energy: -19.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -758.328851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.328851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.328851 (E_RNA) where: Base-Base interactions energy: -272.805 where: short stacking energy: -239.421 Base-Backbone interact. energy: 10.202 local terms energy: -495.725460 where: bonds (distance) C4'-P energy: -140.563 bonds (distance) P-C4' energy: -160.043 flat angles C4'-P-C4' energy: -118.452 flat angles P-C4'-P energy: -88.232 tors. eta vs tors. theta energy: 11.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -737.491303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.491303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.491303 (E_RNA) where: Base-Base interactions energy: -279.129 where: short stacking energy: -212.376 Base-Backbone interact. energy: 3.509 local terms energy: -461.871617 where: bonds (distance) C4'-P energy: -124.089 bonds (distance) P-C4' energy: -140.719 flat angles C4'-P-C4' energy: -130.220 flat angles P-C4'-P energy: -94.183 tors. eta vs tors. theta energy: 27.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1597.968511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.968511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.968511 (E_RNA) where: Base-Base interactions energy: -731.310 where: short stacking energy: -660.275 Base-Backbone interact. energy: 0.426 local terms energy: -867.084761 where: bonds (distance) C4'-P energy: -185.533 bonds (distance) P-C4' energy: -193.178 flat angles C4'-P-C4' energy: -197.310 flat angles P-C4'-P energy: -122.277 tors. eta vs tors. theta energy: -168.788 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: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1557.445759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.445759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.445759 (E_RNA) where: Base-Base interactions energy: -758.647 where: short stacking energy: -605.642 Base-Backbone interact. energy: 1.435 local terms energy: -800.233559 where: bonds (distance) C4'-P energy: -166.746 bonds (distance) P-C4' energy: -170.290 flat angles C4'-P-C4' energy: -196.984 flat angles P-C4'-P energy: -111.837 tors. eta vs tors. theta energy: -154.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1338.699803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.699803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.699803 (E_RNA) where: Base-Base interactions energy: -646.211 where: short stacking energy: -522.431 Base-Backbone interact. energy: 2.503 local terms energy: -694.992166 where: bonds (distance) C4'-P energy: -155.447 bonds (distance) P-C4' energy: -183.558 flat angles C4'-P-C4' energy: -182.242 flat angles P-C4'-P energy: -86.344 tors. eta vs tors. theta energy: -87.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1471.385397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.385397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.385397 (E_RNA) where: Base-Base interactions energy: -770.007 where: short stacking energy: -456.648 Base-Backbone interact. energy: -1.352 local terms energy: -700.026594 where: bonds (distance) C4'-P energy: -183.139 bonds (distance) P-C4' energy: -155.667 flat angles C4'-P-C4' energy: -176.328 flat angles P-C4'-P energy: -102.048 tors. eta vs tors. theta energy: -82.844 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1379.345777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.345777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.345777 (E_RNA) where: Base-Base interactions energy: -719.371 where: short stacking energy: -488.654 Base-Backbone interact. energy: -1.862 local terms energy: -658.113176 where: bonds (distance) C4'-P energy: -150.305 bonds (distance) P-C4' energy: -167.185 flat angles C4'-P-C4' energy: -157.242 flat angles P-C4'-P energy: -84.648 tors. eta vs tors. theta energy: -98.733 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1435.343204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.343204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.343204 (E_RNA) where: Base-Base interactions energy: -800.845 where: short stacking energy: -417.374 Base-Backbone interact. energy: -0.775 local terms energy: -633.723302 where: bonds (distance) C4'-P energy: -143.275 bonds (distance) P-C4' energy: -174.417 flat angles C4'-P-C4' energy: -148.082 flat angles P-C4'-P energy: -105.756 tors. eta vs tors. theta energy: -62.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1125.421345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.421345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.421345 (E_RNA) where: Base-Base interactions energy: -561.471 where: short stacking energy: -357.020 Base-Backbone interact. energy: 2.944 local terms energy: -566.895114 where: bonds (distance) C4'-P energy: -150.815 bonds (distance) P-C4' energy: -164.969 flat angles C4'-P-C4' energy: -143.177 flat angles P-C4'-P energy: -76.334 tors. eta vs tors. theta energy: -31.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1040.480682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.480682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.480682 (E_RNA) where: Base-Base interactions energy: -475.774 where: short stacking energy: -317.561 Base-Backbone interact. energy: 7.094 local terms energy: -571.800907 where: bonds (distance) C4'-P energy: -150.383 bonds (distance) P-C4' energy: -160.078 flat angles C4'-P-C4' energy: -154.523 flat angles P-C4'-P energy: -85.839 tors. eta vs tors. theta energy: -20.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -786.799109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.799109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.799109 (E_RNA) where: Base-Base interactions energy: -298.599 where: short stacking energy: -229.588 Base-Backbone interact. energy: 7.753 local terms energy: -495.953252 where: bonds (distance) C4'-P energy: -159.981 bonds (distance) P-C4' energy: -155.803 flat angles C4'-P-C4' energy: -130.167 flat angles P-C4'-P energy: -65.496 tors. eta vs tors. theta energy: 15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -701.023779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.023779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.023779 (E_RNA) where: Base-Base interactions energy: -259.167 where: short stacking energy: -212.547 Base-Backbone interact. energy: -0.973 local terms energy: -440.884299 where: bonds (distance) C4'-P energy: -130.329 bonds (distance) P-C4' energy: -146.175 flat angles C4'-P-C4' energy: -106.265 flat angles P-C4'-P energy: -77.184 tors. eta vs tors. theta energy: 19.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1593.984126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.984126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.984126 (E_RNA) where: Base-Base interactions energy: -740.224 where: short stacking energy: -668.688 Base-Backbone interact. energy: -1.443 local terms energy: -852.317590 where: bonds (distance) C4'-P energy: -186.423 bonds (distance) P-C4' energy: -176.439 flat angles C4'-P-C4' energy: -195.305 flat angles P-C4'-P energy: -123.700 tors. eta vs tors. theta energy: -170.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1609.701077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.701077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.701077 (E_RNA) where: Base-Base interactions energy: -798.032 where: short stacking energy: -618.490 Base-Backbone interact. energy: -2.298 local terms energy: -809.370901 where: bonds (distance) C4'-P energy: -187.062 bonds (distance) P-C4' energy: -186.606 flat angles C4'-P-C4' energy: -179.278 flat angles P-C4'-P energy: -106.090 tors. eta vs tors. theta energy: -150.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1724.032576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.032576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.032576 (E_RNA) where: Base-Base interactions energy: -994.410 where: short stacking energy: -596.216 Base-Backbone interact. energy: -0.791 local terms energy: -728.831599 where: bonds (distance) C4'-P energy: -146.947 bonds (distance) P-C4' energy: -179.480 flat angles C4'-P-C4' energy: -194.653 flat angles P-C4'-P energy: -112.410 tors. eta vs tors. theta energy: -95.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1314.060345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.060345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.060345 (E_RNA) where: Base-Base interactions energy: -608.802 where: short stacking energy: -451.965 Base-Backbone interact. energy: 1.203 local terms energy: -706.460795 where: bonds (distance) C4'-P energy: -186.399 bonds (distance) P-C4' energy: -171.191 flat angles C4'-P-C4' energy: -155.881 flat angles P-C4'-P energy: -121.657 tors. eta vs tors. theta energy: -71.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1691.564402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.564402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.564402 (E_RNA) where: Base-Base interactions energy: -965.357 where: short stacking energy: -508.655 Base-Backbone interact. energy: 0.912 local terms energy: -727.119626 where: bonds (distance) C4'-P energy: -164.973 bonds (distance) P-C4' energy: -189.826 flat angles C4'-P-C4' energy: -174.908 flat angles P-C4'-P energy: -103.387 tors. eta vs tors. theta energy: -94.026 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: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1317.018858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.018858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.018858 (E_RNA) where: Base-Base interactions energy: -659.074 where: short stacking energy: -399.060 Base-Backbone interact. energy: -3.186 local terms energy: -654.758961 where: bonds (distance) C4'-P energy: -155.349 bonds (distance) P-C4' energy: -177.534 flat angles C4'-P-C4' energy: -152.355 flat angles P-C4'-P energy: -95.521 tors. eta vs tors. theta energy: -73.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1298.983662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.983662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.983662 (E_RNA) where: Base-Base interactions energy: -678.543 where: short stacking energy: -372.584 Base-Backbone interact. energy: -1.647 local terms energy: -618.793265 where: bonds (distance) C4'-P energy: -143.398 bonds (distance) P-C4' energy: -170.352 flat angles C4'-P-C4' energy: -160.938 flat angles P-C4'-P energy: -97.537 tors. eta vs tors. theta energy: -46.568 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -978.036629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.036629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.036629 (E_RNA) where: Base-Base interactions energy: -501.448 where: short stacking energy: -303.099 Base-Backbone interact. energy: -1.469 local terms energy: -475.119067 where: bonds (distance) C4'-P energy: -140.942 bonds (distance) P-C4' energy: -139.960 flat angles C4'-P-C4' energy: -133.994 flat angles P-C4'-P energy: -57.568 tors. eta vs tors. theta energy: -2.656 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: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -767.499364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.499364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.499364 (E_RNA) where: Base-Base interactions energy: -323.569 where: short stacking energy: -268.783 Base-Backbone interact. energy: 2.404 local terms energy: -446.334362 where: bonds (distance) C4'-P energy: -134.954 bonds (distance) P-C4' energy: -125.778 flat angles C4'-P-C4' energy: -133.942 flat angles P-C4'-P energy: -69.064 tors. eta vs tors. theta energy: 17.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -862.046091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.046091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.046091 (E_RNA) where: Base-Base interactions energy: -404.681 where: short stacking energy: -264.829 Base-Backbone interact. energy: 9.881 local terms energy: -467.246629 where: bonds (distance) C4'-P energy: -151.139 bonds (distance) P-C4' energy: -145.547 flat angles C4'-P-C4' energy: -112.833 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: 6.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1620.294700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.294700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.294700 (E_RNA) where: Base-Base interactions energy: -782.852 where: short stacking energy: -652.410 Base-Backbone interact. energy: 0.181 local terms energy: -837.624372 where: bonds (distance) C4'-P energy: -178.530 bonds (distance) P-C4' energy: -190.156 flat angles C4'-P-C4' energy: -189.214 flat angles P-C4'-P energy: -127.863 tors. eta vs tors. theta energy: -151.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1866.710046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.710046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.710046 (E_RNA) where: Base-Base interactions energy: -1070.701 where: short stacking energy: -609.949 Base-Backbone interact. energy: -4.588 local terms energy: -791.420703 where: bonds (distance) C4'-P energy: -177.577 bonds (distance) P-C4' energy: -189.836 flat angles C4'-P-C4' energy: -179.922 flat angles P-C4'-P energy: -117.984 tors. eta vs tors. theta energy: -126.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1529.893196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.893196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.893196 (E_RNA) where: Base-Base interactions energy: -769.267 where: short stacking energy: -549.304 Base-Backbone interact. energy: -2.230 local terms energy: -758.396073 where: bonds (distance) C4'-P energy: -167.926 bonds (distance) P-C4' energy: -167.591 flat angles C4'-P-C4' energy: -183.234 flat angles P-C4'-P energy: -100.217 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: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1948.492736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.492736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.492736 (E_RNA) where: Base-Base interactions energy: -1173.865 where: short stacking energy: -587.594 Base-Backbone interact. energy: -1.790 local terms energy: -772.838322 where: bonds (distance) C4'-P energy: -168.575 bonds (distance) P-C4' energy: -165.526 flat angles C4'-P-C4' energy: -178.240 flat angles P-C4'-P energy: -128.862 tors. eta vs tors. theta energy: -131.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1311.039176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.039176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.039176 (E_RNA) where: Base-Base interactions energy: -647.121 where: short stacking energy: -436.352 Base-Backbone interact. energy: -2.386 local terms energy: -661.531727 where: bonds (distance) C4'-P energy: -158.091 bonds (distance) P-C4' energy: -173.679 flat angles C4'-P-C4' energy: -156.770 flat angles P-C4'-P energy: -109.068 tors. eta vs tors. theta energy: -63.924 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: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1328.361408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.361408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.361408 (E_RNA) where: Base-Base interactions energy: -676.199 where: short stacking energy: -390.543 Base-Backbone interact. energy: -2.839 local terms energy: -649.323585 where: bonds (distance) C4'-P energy: -176.689 bonds (distance) P-C4' energy: -183.372 flat angles C4'-P-C4' energy: -145.941 flat angles P-C4'-P energy: -95.647 tors. eta vs tors. theta energy: -47.675 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1421.308251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.308251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.308251 (E_RNA) where: Base-Base interactions energy: -799.992 where: short stacking energy: -416.545 Base-Backbone interact. energy: 2.938 local terms energy: -624.254943 where: bonds (distance) C4'-P energy: -176.380 bonds (distance) P-C4' energy: -159.548 flat angles C4'-P-C4' energy: -139.861 flat angles P-C4'-P energy: -85.897 tors. eta vs tors. theta energy: -62.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1116.149482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.149482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.149482 (E_RNA) where: Base-Base interactions energy: -544.693 where: short stacking energy: -298.177 Base-Backbone interact. energy: 0.110 local terms energy: -571.565707 where: bonds (distance) C4'-P energy: -136.828 bonds (distance) P-C4' energy: -163.234 flat angles C4'-P-C4' energy: -148.973 flat angles P-C4'-P energy: -105.889 tors. eta vs tors. theta energy: -16.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -881.572910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.572910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.572910 (E_RNA) where: Base-Base interactions energy: -384.989 where: short stacking energy: -272.106 Base-Backbone interact. energy: 10.793 local terms energy: -507.376858 where: bonds (distance) C4'-P energy: -155.699 bonds (distance) P-C4' energy: -142.055 flat angles C4'-P-C4' energy: -130.925 flat angles P-C4'-P energy: -88.024 tors. eta vs tors. theta energy: 9.326 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -831.093894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.093894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.093894 (E_RNA) where: Base-Base interactions energy: -343.074 where: short stacking energy: -220.956 Base-Backbone interact. energy: 0.112 local terms energy: -488.132252 where: bonds (distance) C4'-P energy: -141.400 bonds (distance) P-C4' energy: -162.243 flat angles C4'-P-C4' energy: -129.958 flat angles P-C4'-P energy: -76.404 tors. eta vs tors. theta energy: 21.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -2104.546443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.546443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.546443 (E_RNA) where: Base-Base interactions energy: -1270.857 where: short stacking energy: -675.811 Base-Backbone interact. energy: 3.975 local terms energy: -837.664652 where: bonds (distance) C4'-P energy: -179.024 bonds (distance) P-C4' energy: -187.410 flat angles C4'-P-C4' energy: -200.778 flat angles P-C4'-P energy: -114.773 tors. eta vs tors. theta energy: -155.680 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: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1587.604900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.604900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.604900 (E_RNA) where: Base-Base interactions energy: -780.606 where: short stacking energy: -627.477 Base-Backbone interact. energy: 2.176 local terms energy: -809.175047 where: bonds (distance) C4'-P energy: -186.977 bonds (distance) P-C4' energy: -193.389 flat angles C4'-P-C4' energy: -161.005 flat angles P-C4'-P energy: -127.100 tors. eta vs tors. theta energy: -140.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -2077.122788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.122788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.122788 (E_RNA) where: Base-Base interactions energy: -1274.637 where: short stacking energy: -672.685 Base-Backbone interact. energy: -3.511 local terms energy: -798.975207 where: bonds (distance) C4'-P energy: -160.523 bonds (distance) P-C4' energy: -162.044 flat angles C4'-P-C4' energy: -200.712 flat angles P-C4'-P energy: -113.391 tors. eta vs tors. theta energy: -162.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1356.876538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.876538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.876538 (E_RNA) where: Base-Base interactions energy: -637.518 where: short stacking energy: -453.091 Base-Backbone interact. energy: -2.208 local terms energy: -717.149871 where: bonds (distance) C4'-P energy: -182.002 bonds (distance) P-C4' energy: -178.487 flat angles C4'-P-C4' energy: -176.657 flat angles P-C4'-P energy: -89.308 tors. eta vs tors. theta energy: -90.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1629.503471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.503471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.503471 (E_RNA) where: Base-Base interactions energy: -946.994 where: short stacking energy: -529.002 Base-Backbone interact. energy: -1.614 local terms energy: -680.895687 where: bonds (distance) C4'-P energy: -158.119 bonds (distance) P-C4' energy: -171.389 flat angles C4'-P-C4' energy: -150.601 flat angles P-C4'-P energy: -102.232 tors. eta vs tors. theta energy: -98.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1289.128678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.128678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.128678 (E_RNA) where: Base-Base interactions energy: -647.043 where: short stacking energy: -378.855 Base-Backbone interact. energy: 2.804 local terms energy: -644.890456 where: bonds (distance) C4'-P energy: -142.099 bonds (distance) P-C4' energy: -181.559 flat angles C4'-P-C4' energy: -176.828 flat angles P-C4'-P energy: -92.612 tors. eta vs tors. theta energy: -51.793 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: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1537.592934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.592934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.592934 (E_RNA) where: Base-Base interactions energy: -895.070 where: short stacking energy: -450.081 Base-Backbone interact. energy: 2.203 local terms energy: -644.726050 where: bonds (distance) C4'-P energy: -144.304 bonds (distance) P-C4' energy: -159.877 flat angles C4'-P-C4' energy: -155.496 flat angles P-C4'-P energy: -114.050 tors. eta vs tors. theta energy: -70.999 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1190.099347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.099347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.099347 (E_RNA) where: Base-Base interactions energy: -636.635 where: short stacking energy: -344.895 Base-Backbone interact. energy: 2.366 local terms energy: -555.830714 where: bonds (distance) C4'-P energy: -148.277 bonds (distance) P-C4' energy: -157.975 flat angles C4'-P-C4' energy: -141.828 flat angles P-C4'-P energy: -91.991 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -964.479719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.479719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.479719 (E_RNA) where: Base-Base interactions energy: -468.701 where: short stacking energy: -280.593 Base-Backbone interact. energy: 15.915 local terms energy: -511.694065 where: bonds (distance) C4'-P energy: -145.184 bonds (distance) P-C4' energy: -163.175 flat angles C4'-P-C4' energy: -129.076 flat angles P-C4'-P energy: -90.388 tors. eta vs tors. theta energy: 16.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -888.986811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.986811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.986811 (E_RNA) where: Base-Base interactions energy: -410.631 where: short stacking energy: -246.063 Base-Backbone interact. energy: 3.819 local terms energy: -482.175088 where: bonds (distance) C4'-P energy: -132.150 bonds (distance) P-C4' energy: -151.229 flat angles C4'-P-C4' energy: -131.933 flat angles P-C4'-P energy: -98.865 tors. eta vs tors. theta energy: 32.002 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: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -2281.289797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.289797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.289797 (E_RNA) where: Base-Base interactions energy: -1410.846 where: short stacking energy: -738.100 Base-Backbone interact. energy: -3.471 local terms energy: -866.972545 where: bonds (distance) C4'-P energy: -180.107 bonds (distance) P-C4' energy: -189.798 flat angles C4'-P-C4' energy: -195.392 flat angles P-C4'-P energy: -124.991 tors. eta vs tors. theta energy: -176.685 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: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2331.070057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.070057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.070057 (E_RNA) where: Base-Base interactions energy: -1466.498 where: short stacking energy: -751.486 Base-Backbone interact. energy: -3.937 local terms energy: -860.635393 where: bonds (distance) C4'-P energy: -171.978 bonds (distance) P-C4' energy: -193.442 flat angles C4'-P-C4' energy: -196.823 flat angles P-C4'-P energy: -122.568 tors. eta vs tors. theta energy: -175.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1575.928439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.928439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.928439 (E_RNA) where: Base-Base interactions energy: -780.947 where: short stacking energy: -593.079 Base-Backbone interact. energy: -0.717 local terms energy: -794.264320 where: bonds (distance) C4'-P energy: -177.425 bonds (distance) P-C4' energy: -184.953 flat angles C4'-P-C4' energy: -179.435 flat angles P-C4'-P energy: -127.409 tors. eta vs tors. theta energy: -125.042 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: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1754.229297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.229297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.229297 (E_RNA) where: Base-Base interactions energy: -1015.835 where: short stacking energy: -564.660 Base-Backbone interact. energy: -1.797 local terms energy: -736.597293 where: bonds (distance) C4'-P energy: -170.101 bonds (distance) P-C4' energy: -169.145 flat angles C4'-P-C4' energy: -175.838 flat angles P-C4'-P energy: -102.730 tors. eta vs tors. theta energy: -118.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1308.468569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.468569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.468569 (E_RNA) where: Base-Base interactions energy: -668.426 where: short stacking energy: -423.241 Base-Backbone interact. energy: -1.531 local terms energy: -638.512265 where: bonds (distance) C4'-P energy: -168.377 bonds (distance) P-C4' energy: -162.781 flat angles C4'-P-C4' energy: -162.917 flat angles P-C4'-P energy: -92.638 tors. eta vs tors. theta energy: -51.799 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: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1665.405954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.405954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.405954 (E_RNA) where: Base-Base interactions energy: -989.226 where: short stacking energy: -494.148 Base-Backbone interact. energy: 3.772 local terms energy: -679.952125 where: bonds (distance) C4'-P energy: -160.078 bonds (distance) P-C4' energy: -160.621 flat angles C4'-P-C4' energy: -172.087 flat angles P-C4'-P energy: -99.491 tors. eta vs tors. theta energy: -87.675 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: 11 Temperature: 1.200000 Total energy: -1258.503256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.503256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.503256 (E_RNA) where: Base-Base interactions energy: -660.960 where: short stacking energy: -386.941 Base-Backbone interact. energy: -0.751 local terms energy: -596.791352 where: bonds (distance) C4'-P energy: -148.206 bonds (distance) P-C4' energy: -179.779 flat angles C4'-P-C4' energy: -150.583 flat angles P-C4'-P energy: -83.456 tors. eta vs tors. theta energy: -34.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1256.427197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.427197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.427197 (E_RNA) where: Base-Base interactions energy: -702.647 where: short stacking energy: -367.000 Base-Backbone interact. energy: -0.099 local terms energy: -553.681419 where: bonds (distance) C4'-P energy: -135.048 bonds (distance) P-C4' energy: -166.028 flat angles C4'-P-C4' energy: -139.630 flat angles P-C4'-P energy: -85.288 tors. eta vs tors. theta energy: -27.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1062.534932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.534932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.534932 (E_RNA) where: Base-Base interactions energy: -555.072 where: short stacking energy: -294.956 Base-Backbone interact. energy: -0.594 local terms energy: -506.868755 where: bonds (distance) C4'-P energy: -157.990 bonds (distance) P-C4' energy: -157.195 flat angles C4'-P-C4' energy: -122.315 flat angles P-C4'-P energy: -63.920 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -996.464456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.464456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.464456 (E_RNA) where: Base-Base interactions energy: -511.044 where: short stacking energy: -272.895 Base-Backbone interact. energy: -1.996 local terms energy: -483.425162 where: bonds (distance) C4'-P energy: -126.125 bonds (distance) P-C4' energy: -149.752 flat angles C4'-P-C4' energy: -129.482 flat angles P-C4'-P energy: -59.955 tors. eta vs tors. theta energy: -18.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2530.483685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.483685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.483685 (E_RNA) where: Base-Base interactions energy: -1648.045 where: short stacking energy: -818.584 Base-Backbone interact. energy: 3.988 local terms energy: -886.426335 where: bonds (distance) C4'-P energy: -176.588 bonds (distance) P-C4' energy: -186.902 flat angles C4'-P-C4' energy: -195.965 flat angles P-C4'-P energy: -126.385 tors. eta vs tors. theta energy: -200.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -2234.439530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.439530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.439530 (E_RNA) where: Base-Base interactions energy: -1372.277 where: short stacking energy: -716.363 Base-Backbone interact. energy: 0.573 local terms energy: -862.734653 where: bonds (distance) C4'-P energy: -190.772 bonds (distance) P-C4' energy: -206.272 flat angles C4'-P-C4' energy: -195.910 flat angles P-C4'-P energy: -112.837 tors. eta vs tors. theta energy: -156.944 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: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1927.865745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.865745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.865745 (E_RNA) where: Base-Base interactions energy: -1144.753 where: short stacking energy: -613.985 Base-Backbone interact. energy: -1.245 local terms energy: -781.867773 where: bonds (distance) C4'-P energy: -173.156 bonds (distance) P-C4' energy: -176.383 flat angles C4'-P-C4' energy: -171.078 flat angles P-C4'-P energy: -118.289 tors. eta vs tors. theta energy: -142.961 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: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1460.764408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.764408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.764408 (E_RNA) where: Base-Base interactions energy: -737.736 where: short stacking energy: -498.520 Base-Backbone interact. energy: -0.316 local terms energy: -722.713161 where: bonds (distance) C4'-P energy: -166.449 bonds (distance) P-C4' energy: -185.895 flat angles C4'-P-C4' energy: -159.014 flat angles P-C4'-P energy: -113.418 tors. eta vs tors. theta energy: -97.937 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: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1820.022770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.022770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.022770 (E_RNA) where: Base-Base interactions energy: -1074.114 where: short stacking energy: -576.035 Base-Backbone interact. energy: 0.937 local terms energy: -746.845749 where: bonds (distance) C4'-P energy: -160.315 bonds (distance) P-C4' energy: -169.585 flat angles C4'-P-C4' energy: -172.475 flat angles P-C4'-P energy: -114.569 tors. eta vs tors. theta energy: -129.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1350.590369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.590369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.590369 (E_RNA) where: Base-Base interactions energy: -695.411 where: short stacking energy: -426.877 Base-Backbone interact. energy: -0.387 local terms energy: -654.792653 where: bonds (distance) C4'-P energy: -179.759 bonds (distance) P-C4' energy: -171.237 flat angles C4'-P-C4' energy: -170.916 flat angles P-C4'-P energy: -83.796 tors. eta vs tors. theta energy: -49.085 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: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1410.588974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.588974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.588974 (E_RNA) where: Base-Base interactions energy: -796.113 where: short stacking energy: -417.032 Base-Backbone interact. energy: 2.611 local terms energy: -617.086095 where: bonds (distance) C4'-P energy: -145.652 bonds (distance) P-C4' energy: -169.542 flat angles C4'-P-C4' energy: -148.775 flat angles P-C4'-P energy: -97.118 tors. eta vs tors. theta energy: -55.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1220.456717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.456717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.456717 (E_RNA) where: Base-Base interactions energy: -659.830 where: short stacking energy: -380.454 Base-Backbone interact. energy: 3.589 local terms energy: -564.215023 where: bonds (distance) C4'-P energy: -156.972 bonds (distance) P-C4' energy: -152.398 flat angles C4'-P-C4' energy: -141.925 flat angles P-C4'-P energy: -90.383 tors. eta vs tors. theta energy: -22.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1127.815776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.815776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.815776 (E_RNA) where: Base-Base interactions energy: -597.118 where: short stacking energy: -309.744 Base-Backbone interact. energy: 6.484 local terms energy: -537.182199 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -151.630 flat angles C4'-P-C4' energy: -157.412 flat angles P-C4'-P energy: -94.310 tors. eta vs tors. theta energy: 0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1147.467401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.467401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.467401 (E_RNA) where: Base-Base interactions energy: -623.497 where: short stacking energy: -293.315 Base-Backbone interact. energy: -3.862 local terms energy: -520.107866 where: bonds (distance) C4'-P energy: -149.316 bonds (distance) P-C4' energy: -143.885 flat angles C4'-P-C4' energy: -136.712 flat angles P-C4'-P energy: -69.991 tors. eta vs tors. theta energy: -20.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2601.976803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.976803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.976803 (E_RNA) where: Base-Base interactions energy: -1722.999 where: short stacking energy: -855.462 Base-Backbone interact. energy: -0.930 local terms energy: -878.047949 where: bonds (distance) C4'-P energy: -172.460 bonds (distance) P-C4' energy: -186.706 flat angles C4'-P-C4' energy: -201.991 flat angles P-C4'-P energy: -109.294 tors. eta vs tors. theta energy: -207.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2272.394540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.394540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.394540 (E_RNA) where: Base-Base interactions energy: -1458.016 where: short stacking energy: -727.616 Base-Backbone interact. energy: -2.506 local terms energy: -811.872290 where: bonds (distance) C4'-P energy: -180.390 bonds (distance) P-C4' energy: -184.051 flat angles C4'-P-C4' energy: -173.850 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -175.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1911.326181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.326181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.326181 (E_RNA) where: Base-Base interactions energy: -1145.999 where: short stacking energy: -602.492 Base-Backbone interact. energy: -1.150 local terms energy: -764.177418 where: bonds (distance) C4'-P energy: -175.557 bonds (distance) P-C4' energy: -172.786 flat angles C4'-P-C4' energy: -183.611 flat angles P-C4'-P energy: -114.683 tors. eta vs tors. theta energy: -117.540 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: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1910.300649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.300649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.300649 (E_RNA) where: Base-Base interactions energy: -1153.315 where: short stacking energy: -612.994 Base-Backbone interact. energy: 3.377 local terms energy: -760.361935 where: bonds (distance) C4'-P energy: -181.424 bonds (distance) P-C4' energy: -159.873 flat angles C4'-P-C4' energy: -170.019 flat angles P-C4'-P energy: -108.427 tors. eta vs tors. theta energy: -140.620 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: 13 Temperature: 1.100000 Total energy: -1457.496431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.496431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.496431 (E_RNA) where: Base-Base interactions energy: -762.783 where: short stacking energy: -497.185 Base-Backbone interact. energy: 1.509 local terms energy: -696.222380 where: bonds (distance) C4'-P energy: -160.730 bonds (distance) P-C4' energy: -171.690 flat angles C4'-P-C4' energy: -156.238 flat angles P-C4'-P energy: -105.259 tors. eta vs tors. theta energy: -102.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1554.860827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.860827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.860827 (E_RNA) where: Base-Base interactions energy: -875.510 where: short stacking energy: -483.933 Base-Backbone interact. energy: -0.732 local terms energy: -678.618484 where: bonds (distance) C4'-P energy: -143.301 bonds (distance) P-C4' energy: -191.449 flat angles C4'-P-C4' energy: -165.946 flat angles P-C4'-P energy: -89.247 tors. eta vs tors. theta energy: -88.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1367.918485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.918485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.918485 (E_RNA) where: Base-Base interactions energy: -766.134 where: short stacking energy: -436.062 Base-Backbone interact. energy: 0.367 local terms energy: -602.151543 where: bonds (distance) C4'-P energy: -145.120 bonds (distance) P-C4' energy: -155.739 flat angles C4'-P-C4' energy: -145.822 flat angles P-C4'-P energy: -87.254 tors. eta vs tors. theta energy: -68.216 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: 8, replica: 3 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1303.088596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.088596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.088596 (E_RNA) where: Base-Base interactions energy: -690.051 where: short stacking energy: -366.488 Base-Backbone interact. energy: 3.170 local terms energy: -616.207162 where: bonds (distance) C4'-P energy: -161.822 bonds (distance) P-C4' energy: -180.206 flat angles C4'-P-C4' energy: -149.484 flat angles P-C4'-P energy: -75.536 tors. eta vs tors. theta energy: -49.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1139.121321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.121321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.121321 (E_RNA) where: Base-Base interactions energy: -641.968 where: short stacking energy: -321.074 Base-Backbone interact. energy: -5.112 local terms energy: -492.041532 where: bonds (distance) C4'-P energy: -131.589 bonds (distance) P-C4' energy: -143.810 flat angles C4'-P-C4' energy: -133.604 flat angles P-C4'-P energy: -72.388 tors. eta vs tors. theta energy: -10.651 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: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1099.652590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.652590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.652590 (E_RNA) where: Base-Base interactions energy: -601.935 where: short stacking energy: -304.349 Base-Backbone interact. energy: 3.614 local terms energy: -501.331207 where: bonds (distance) C4'-P energy: -150.746 bonds (distance) P-C4' energy: -137.032 flat angles C4'-P-C4' energy: -147.367 flat angles P-C4'-P energy: -71.693 tors. eta vs tors. theta energy: 5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2565.833754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.833754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.833754 (E_RNA) where: Base-Base interactions energy: -1668.642 where: short stacking energy: -801.681 Base-Backbone interact. energy: 1.060 local terms energy: -898.251776 where: bonds (distance) C4'-P energy: -188.788 bonds (distance) P-C4' energy: -172.172 flat angles C4'-P-C4' energy: -209.048 flat angles P-C4'-P energy: -127.847 tors. eta vs tors. theta energy: -200.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -2299.860283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.860283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.860283 (E_RNA) where: Base-Base interactions energy: -1465.523 where: short stacking energy: -723.843 Base-Backbone interact. energy: -3.906 local terms energy: -830.431108 where: bonds (distance) C4'-P energy: -177.359 bonds (distance) P-C4' energy: -180.919 flat angles C4'-P-C4' energy: -192.518 flat angles P-C4'-P energy: -116.152 tors. eta vs tors. theta energy: -163.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2003.984987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.984987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.984987 (E_RNA) where: Base-Base interactions energy: -1176.766 where: short stacking energy: -622.281 Base-Backbone interact. energy: -2.202 local terms energy: -825.016502 where: bonds (distance) C4'-P energy: -163.428 bonds (distance) P-C4' energy: -172.517 flat angles C4'-P-C4' energy: -206.636 flat angles P-C4'-P energy: -129.167 tors. eta vs tors. theta energy: -153.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1926.944286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.944286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.944286 (E_RNA) where: Base-Base interactions energy: -1133.997 where: short stacking energy: -615.584 Base-Backbone interact. energy: -2.834 local terms energy: -790.112574 where: bonds (distance) C4'-P energy: -160.862 bonds (distance) P-C4' energy: -174.013 flat angles C4'-P-C4' energy: -189.688 flat angles P-C4'-P energy: -110.369 tors. eta vs tors. theta energy: -155.181 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: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1687.605280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.605280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.605280 (E_RNA) where: Base-Base interactions energy: -1006.359 where: short stacking energy: -554.711 Base-Backbone interact. energy: -2.226 local terms energy: -679.020287 where: bonds (distance) C4'-P energy: -143.178 bonds (distance) P-C4' energy: -168.167 flat angles C4'-P-C4' energy: -160.539 flat angles P-C4'-P energy: -94.475 tors. eta vs tors. theta energy: -112.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1426.644167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.644167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.644167 (E_RNA) where: Base-Base interactions energy: -760.654 where: short stacking energy: -443.060 Base-Backbone interact. energy: -0.949 local terms energy: -665.041221 where: bonds (distance) C4'-P energy: -158.757 bonds (distance) P-C4' energy: -170.620 flat angles C4'-P-C4' energy: -156.700 flat angles P-C4'-P energy: -107.690 tors. eta vs tors. theta energy: -71.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1479.527839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.527839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.527839 (E_RNA) where: Base-Base interactions energy: -872.273 where: short stacking energy: -463.191 Base-Backbone interact. energy: 7.987 local terms energy: -615.242043 where: bonds (distance) C4'-P energy: -164.459 bonds (distance) P-C4' energy: -159.433 flat angles C4'-P-C4' energy: -131.615 flat angles P-C4'-P energy: -88.457 tors. eta vs tors. theta energy: -71.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1243.795972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.795972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.795972 (E_RNA) where: Base-Base interactions energy: -656.845 where: short stacking energy: -341.434 Base-Backbone interact. energy: 1.657 local terms energy: -588.608283 where: bonds (distance) C4'-P energy: -158.407 bonds (distance) P-C4' energy: -161.952 flat angles C4'-P-C4' energy: -155.650 flat angles P-C4'-P energy: -82.857 tors. eta vs tors. theta energy: -29.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1195.357376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.357376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.357376 (E_RNA) where: Base-Base interactions energy: -671.574 where: short stacking energy: -292.292 Base-Backbone interact. energy: -1.317 local terms energy: -522.466767 where: bonds (distance) C4'-P energy: -151.622 bonds (distance) P-C4' energy: -164.540 flat angles C4'-P-C4' energy: -135.653 flat angles P-C4'-P energy: -51.796 tors. eta vs tors. theta energy: -18.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1174.563629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.563629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.563629 (E_RNA) where: Base-Base interactions energy: -643.414 where: short stacking energy: -327.409 Base-Backbone interact. energy: 0.921 local terms energy: -532.071245 where: bonds (distance) C4'-P energy: -130.426 bonds (distance) P-C4' energy: -164.201 flat angles C4'-P-C4' energy: -128.712 flat angles P-C4'-P energy: -84.601 tors. eta vs tors. theta energy: -24.131 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: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2580.574100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.574100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.574100 (E_RNA) where: Base-Base interactions energy: -1741.537 where: short stacking energy: -823.894 Base-Backbone interact. energy: -0.728 local terms energy: -838.309419 where: bonds (distance) C4'-P energy: -162.751 bonds (distance) P-C4' energy: -176.673 flat angles C4'-P-C4' energy: -188.635 flat angles P-C4'-P energy: -119.494 tors. eta vs tors. theta energy: -190.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2347.678840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.678840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.678840 (E_RNA) where: Base-Base interactions energy: -1504.927 where: short stacking energy: -793.112 Base-Backbone interact. energy: 3.088 local terms energy: -845.839498 where: bonds (distance) C4'-P energy: -173.142 bonds (distance) P-C4' energy: -185.995 flat angles C4'-P-C4' energy: -189.284 flat angles P-C4'-P energy: -100.886 tors. eta vs tors. theta energy: -196.532 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: 4 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2021.640072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.640072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.640072 (E_RNA) where: Base-Base interactions energy: -1265.176 where: short stacking energy: -656.145 Base-Backbone interact. energy: -1.298 local terms energy: -755.166786 where: bonds (distance) C4'-P energy: -178.333 bonds (distance) P-C4' energy: -162.130 flat angles C4'-P-C4' energy: -169.141 flat angles P-C4'-P energy: -107.252 tors. eta vs tors. theta energy: -138.311 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: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1938.084271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.084271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.084271 (E_RNA) where: Base-Base interactions energy: -1146.514 where: short stacking energy: -629.127 Base-Backbone interact. energy: -2.365 local terms energy: -789.204907 where: bonds (distance) C4'-P energy: -160.049 bonds (distance) P-C4' energy: -177.545 flat angles C4'-P-C4' energy: -181.908 flat angles P-C4'-P energy: -118.913 tors. eta vs tors. theta energy: -150.790 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: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1792.716239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.716239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.716239 (E_RNA) where: Base-Base interactions energy: -1089.269 where: short stacking energy: -586.667 Base-Backbone interact. energy: 1.216 local terms energy: -704.663351 where: bonds (distance) C4'-P energy: -147.244 bonds (distance) P-C4' energy: -164.228 flat angles C4'-P-C4' energy: -173.741 flat angles P-C4'-P energy: -114.470 tors. eta vs tors. theta energy: -104.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1638.937688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.937688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.937688 (E_RNA) where: Base-Base interactions energy: -969.641 where: short stacking energy: -490.680 Base-Backbone interact. energy: 4.574 local terms energy: -673.870564 where: bonds (distance) C4'-P energy: -160.417 bonds (distance) P-C4' energy: -165.677 flat angles C4'-P-C4' energy: -171.070 flat angles P-C4'-P energy: -100.436 tors. eta vs tors. theta energy: -76.271 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: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1347.685558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.685558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.685558 (E_RNA) where: Base-Base interactions energy: -733.732 where: short stacking energy: -398.701 Base-Backbone interact. energy: -0.917 local terms energy: -613.036667 where: bonds (distance) C4'-P energy: -170.337 bonds (distance) P-C4' energy: -158.018 flat angles C4'-P-C4' energy: -149.868 flat angles P-C4'-P energy: -95.534 tors. eta vs tors. theta energy: -39.279 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: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1467.916549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.916549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.916549 (E_RNA) where: Base-Base interactions energy: -854.992 where: short stacking energy: -424.612 Base-Backbone interact. energy: 2.172 local terms energy: -615.097119 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -167.370 flat angles C4'-P-C4' energy: -158.569 flat angles P-C4'-P energy: -86.478 tors. eta vs tors. theta energy: -74.333 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: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1222.128790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.128790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.128790 (E_RNA) where: Base-Base interactions energy: -679.919 where: short stacking energy: -334.469 Base-Backbone interact. energy: 4.370 local terms energy: -546.579887 where: bonds (distance) C4'-P energy: -146.900 bonds (distance) P-C4' energy: -152.043 flat angles C4'-P-C4' energy: -143.186 flat angles P-C4'-P energy: -91.596 tors. eta vs tors. theta energy: -12.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1222.037846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.037846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.037846 (E_RNA) where: Base-Base interactions energy: -671.864 where: short stacking energy: -361.450 Base-Backbone interact. energy: -1.524 local terms energy: -548.648971 where: bonds (distance) C4'-P energy: -127.097 bonds (distance) P-C4' energy: -136.064 flat angles C4'-P-C4' energy: -154.190 flat angles P-C4'-P energy: -95.475 tors. eta vs tors. theta energy: -35.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2634.400646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.400646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.400646 (E_RNA) where: Base-Base interactions energy: -1738.013 where: short stacking energy: -836.051 Base-Backbone interact. energy: -3.553 local terms energy: -892.834827 where: bonds (distance) C4'-P energy: -179.132 bonds (distance) P-C4' energy: -181.729 flat angles C4'-P-C4' energy: -198.622 flat angles P-C4'-P energy: -136.306 tors. eta vs tors. theta energy: -197.045 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: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2311.865890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.865890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.865890 (E_RNA) where: Base-Base interactions energy: -1471.114 where: short stacking energy: -714.736 Base-Backbone interact. energy: 1.552 local terms energy: -842.303602 where: bonds (distance) C4'-P energy: -178.534 bonds (distance) P-C4' energy: -164.028 flat angles C4'-P-C4' energy: -197.443 flat angles P-C4'-P energy: -124.221 tors. eta vs tors. theta energy: -178.077 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: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2063.266311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.266311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.266311 (E_RNA) where: Base-Base interactions energy: -1291.521 where: short stacking energy: -649.151 Base-Backbone interact. energy: 1.763 local terms energy: -773.508632 where: bonds (distance) C4'-P energy: -181.381 bonds (distance) P-C4' energy: -163.021 flat angles C4'-P-C4' energy: -166.273 flat angles P-C4'-P energy: -118.563 tors. eta vs tors. theta energy: -144.271 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: 16 Temperature: 1.050000 Total energy: -1966.820028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.820028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.820028 (E_RNA) where: Base-Base interactions energy: -1176.670 where: short stacking energy: -595.581 Base-Backbone interact. energy: -2.131 local terms energy: -788.018588 where: bonds (distance) C4'-P energy: -181.293 bonds (distance) P-C4' energy: -179.827 flat angles C4'-P-C4' energy: -180.142 flat angles P-C4'-P energy: -111.647 tors. eta vs tors. theta energy: -135.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1880.095141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.095141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.095141 (E_RNA) where: Base-Base interactions energy: -1123.459 where: short stacking energy: -586.654 Base-Backbone interact. energy: -0.607 local terms energy: -756.029372 where: bonds (distance) C4'-P energy: -167.087 bonds (distance) P-C4' energy: -168.480 flat angles C4'-P-C4' energy: -190.074 flat angles P-C4'-P energy: -118.034 tors. eta vs tors. theta energy: -112.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1618.810686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.810686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.810686 (E_RNA) where: Base-Base interactions energy: -931.462 where: short stacking energy: -484.868 Base-Backbone interact. energy: -0.923 local terms energy: -686.426205 where: bonds (distance) C4'-P energy: -162.807 bonds (distance) P-C4' energy: -176.416 flat angles C4'-P-C4' energy: -152.350 flat angles P-C4'-P energy: -97.542 tors. eta vs tors. theta energy: -97.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1724.457380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.457380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.457380 (E_RNA) where: Base-Base interactions energy: -1060.536 where: short stacking energy: -488.464 Base-Backbone interact. energy: 0.555 local terms energy: -664.476377 where: bonds (distance) C4'-P energy: -152.632 bonds (distance) P-C4' energy: -152.439 flat angles C4'-P-C4' energy: -151.872 flat angles P-C4'-P energy: -107.985 tors. eta vs tors. theta energy: -99.548 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: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1283.271004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.271004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.271004 (E_RNA) where: Base-Base interactions energy: -719.881 where: short stacking energy: -419.264 Base-Backbone interact. energy: 7.369 local terms energy: -570.759277 where: bonds (distance) C4'-P energy: -137.853 bonds (distance) P-C4' energy: -141.393 flat angles C4'-P-C4' energy: -137.246 flat angles P-C4'-P energy: -98.154 tors. eta vs tors. theta energy: -56.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1293.706577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.706577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.706577 (E_RNA) where: Base-Base interactions energy: -720.907 where: short stacking energy: -364.652 Base-Backbone interact. energy: 0.159 local terms energy: -572.958780 where: bonds (distance) C4'-P energy: -165.237 bonds (distance) P-C4' energy: -148.876 flat angles C4'-P-C4' energy: -132.681 flat angles P-C4'-P energy: -75.401 tors. eta vs tors. theta energy: -50.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1181.710511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.710511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.710511 (E_RNA) where: Base-Base interactions energy: -688.353 where: short stacking energy: -338.306 Base-Backbone interact. energy: 0.814 local terms energy: -494.171376 where: bonds (distance) C4'-P energy: -131.515 bonds (distance) P-C4' energy: -156.349 flat angles C4'-P-C4' energy: -115.104 flat angles P-C4'-P energy: -68.002 tors. eta vs tors. theta energy: -23.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2674.626230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.626230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.626230 (E_RNA) where: Base-Base interactions energy: -1762.337 where: short stacking energy: -821.969 Base-Backbone interact. energy: -2.690 local terms energy: -909.598851 where: bonds (distance) C4'-P energy: -190.072 bonds (distance) P-C4' energy: -181.419 flat angles C4'-P-C4' energy: -216.006 flat angles P-C4'-P energy: -114.227 tors. eta vs tors. theta energy: -207.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2410.952249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.952249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.952249 (E_RNA) where: Base-Base interactions energy: -1525.313 where: short stacking energy: -759.438 Base-Backbone interact. energy: -1.636 local terms energy: -884.002963 where: bonds (distance) C4'-P energy: -187.235 bonds (distance) P-C4' energy: -194.427 flat angles C4'-P-C4' energy: -198.805 flat angles P-C4'-P energy: -104.131 tors. eta vs tors. theta energy: -199.405 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: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -2115.980438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.980438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.980438 (E_RNA) where: Base-Base interactions energy: -1291.325 where: short stacking energy: -643.937 Base-Backbone interact. energy: 3.051 local terms energy: -827.706671 where: bonds (distance) C4'-P energy: -196.380 bonds (distance) P-C4' energy: -186.529 flat angles C4'-P-C4' energy: -176.216 flat angles P-C4'-P energy: -119.118 tors. eta vs tors. theta energy: -149.463 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: 4, replica: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2007.632356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.632356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.632356 (E_RNA) where: Base-Base interactions energy: -1217.232 where: short stacking energy: -632.584 Base-Backbone interact. energy: -2.135 local terms energy: -788.264887 where: bonds (distance) C4'-P energy: -167.180 bonds (distance) P-C4' energy: -179.852 flat angles C4'-P-C4' energy: -191.419 flat angles P-C4'-P energy: -107.611 tors. eta vs tors. theta energy: -142.203 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: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1899.293201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.293201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.293201 (E_RNA) where: Base-Base interactions energy: -1173.393 where: short stacking energy: -585.558 Base-Backbone interact. energy: -3.667 local terms energy: -722.233885 where: bonds (distance) C4'-P energy: -146.756 bonds (distance) P-C4' energy: -164.016 flat angles C4'-P-C4' energy: -161.034 flat angles P-C4'-P energy: -122.673 tors. eta vs tors. theta energy: -127.756 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: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1895.577048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.577048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.577048 (E_RNA) where: Base-Base interactions energy: -1165.739 where: short stacking energy: -565.190 Base-Backbone interact. energy: -3.037 local terms energy: -726.800879 where: bonds (distance) C4'-P energy: -141.470 bonds (distance) P-C4' energy: -160.633 flat angles C4'-P-C4' energy: -179.386 flat angles P-C4'-P energy: -116.100 tors. eta vs tors. theta energy: -129.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1607.964323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.964323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.964323 (E_RNA) where: Base-Base interactions energy: -967.673 where: short stacking energy: -517.372 Base-Backbone interact. energy: 5.236 local terms energy: -645.527594 where: bonds (distance) C4'-P energy: -161.354 bonds (distance) P-C4' energy: -138.808 flat angles C4'-P-C4' energy: -161.334 flat angles P-C4'-P energy: -93.156 tors. eta vs tors. theta energy: -90.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1318.933945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.933945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.933945 (E_RNA) where: Base-Base interactions energy: -719.740 where: short stacking energy: -406.717 Base-Backbone interact. energy: 1.985 local terms energy: -601.178361 where: bonds (distance) C4'-P energy: -142.076 bonds (distance) P-C4' energy: -145.756 flat angles C4'-P-C4' energy: -161.583 flat angles P-C4'-P energy: -108.428 tors. eta vs tors. theta energy: -43.335 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: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1413.088763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.088763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.088763 (E_RNA) where: Base-Base interactions energy: -869.270 where: short stacking energy: -435.577 Base-Backbone interact. energy: 6.445 local terms energy: -550.264416 where: bonds (distance) C4'-P energy: -124.856 bonds (distance) P-C4' energy: -156.211 flat angles C4'-P-C4' energy: -142.065 flat angles P-C4'-P energy: -64.654 tors. eta vs tors. theta energy: -62.477 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: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1254.181212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.181212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.181212 (E_RNA) where: Base-Base interactions energy: -738.960 where: short stacking energy: -329.305 Base-Backbone interact. energy: -3.092 local terms energy: -512.129273 where: bonds (distance) C4'-P energy: -115.101 bonds (distance) P-C4' energy: -136.003 flat angles C4'-P-C4' energy: -129.535 flat angles P-C4'-P energy: -96.705 tors. eta vs tors. theta energy: -34.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2689.203059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.203059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.203059 (E_RNA) where: Base-Base interactions energy: -1745.282 where: short stacking energy: -830.074 Base-Backbone interact. energy: -0.246 local terms energy: -943.675487 where: bonds (distance) C4'-P energy: -187.109 bonds (distance) P-C4' energy: -192.611 flat angles C4'-P-C4' energy: -209.979 flat angles P-C4'-P energy: -135.016 tors. eta vs tors. theta energy: -218.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2446.326121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.326121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.326121 (E_RNA) where: Base-Base interactions energy: -1556.523 where: short stacking energy: -773.344 Base-Backbone interact. energy: -1.452 local terms energy: -888.351092 where: bonds (distance) C4'-P energy: -178.838 bonds (distance) P-C4' energy: -194.432 flat angles C4'-P-C4' energy: -202.396 flat angles P-C4'-P energy: -117.396 tors. eta vs tors. theta energy: -195.289 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: 4 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2171.084613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.084613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.084613 (E_RNA) where: Base-Base interactions energy: -1355.714 where: short stacking energy: -669.637 Base-Backbone interact. energy: -2.266 local terms energy: -813.104531 where: bonds (distance) C4'-P energy: -159.583 bonds (distance) P-C4' energy: -185.544 flat angles C4'-P-C4' energy: -191.832 flat angles P-C4'-P energy: -121.871 tors. eta vs tors. theta energy: -154.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -2048.140542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.140542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.140542 (E_RNA) where: Base-Base interactions energy: -1265.877 where: short stacking energy: -653.213 Base-Backbone interact. energy: -6.670 local terms energy: -775.593507 where: bonds (distance) C4'-P energy: -167.273 bonds (distance) P-C4' energy: -178.457 flat angles C4'-P-C4' energy: -165.252 flat angles P-C4'-P energy: -115.403 tors. eta vs tors. theta energy: -149.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -2106.068777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.068777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.068777 (E_RNA) where: Base-Base interactions energy: -1376.736 where: short stacking energy: -634.296 Base-Backbone interact. energy: 2.520 local terms energy: -731.852496 where: bonds (distance) C4'-P energy: -145.777 bonds (distance) P-C4' energy: -175.350 flat angles C4'-P-C4' energy: -177.133 flat angles P-C4'-P energy: -102.256 tors. eta vs tors. theta energy: -131.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1854.396568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.396568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.396568 (E_RNA) where: Base-Base interactions energy: -1123.753 where: short stacking energy: -555.067 Base-Backbone interact. energy: -2.621 local terms energy: -728.022040 where: bonds (distance) C4'-P energy: -153.535 bonds (distance) P-C4' energy: -179.537 flat angles C4'-P-C4' energy: -167.918 flat angles P-C4'-P energy: -103.274 tors. eta vs tors. theta energy: -123.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1632.571784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.571784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.571784 (E_RNA) where: Base-Base interactions energy: -975.367 where: short stacking energy: -480.952 Base-Backbone interact. energy: -1.137 local terms energy: -656.067445 where: bonds (distance) C4'-P energy: -151.571 bonds (distance) P-C4' energy: -151.536 flat angles C4'-P-C4' energy: -161.113 flat angles P-C4'-P energy: -105.645 tors. eta vs tors. theta energy: -86.202 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: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1340.980591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.980591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.980591 (E_RNA) where: Base-Base interactions energy: -741.782 where: short stacking energy: -387.288 Base-Backbone interact. energy: 6.966 local terms energy: -606.163790 where: bonds (distance) C4'-P energy: -143.065 bonds (distance) P-C4' energy: -165.753 flat angles C4'-P-C4' energy: -136.276 flat angles P-C4'-P energy: -102.059 tors. eta vs tors. theta energy: -59.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1373.995975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.995975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.995975 (E_RNA) where: Base-Base interactions energy: -791.809 where: short stacking energy: -370.359 Base-Backbone interact. energy: -1.840 local terms energy: -580.346663 where: bonds (distance) C4'-P energy: -153.504 bonds (distance) P-C4' energy: -146.998 flat angles C4'-P-C4' energy: -155.496 flat angles P-C4'-P energy: -86.351 tors. eta vs tors. theta energy: -37.998 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: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1532.781335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.781335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.781335 (E_RNA) where: Base-Base interactions energy: -984.085 where: short stacking energy: -436.231 Base-Backbone interact. energy: 3.432 local terms energy: -552.127789 where: bonds (distance) C4'-P energy: -139.798 bonds (distance) P-C4' energy: -149.077 flat angles C4'-P-C4' energy: -103.502 flat angles P-C4'-P energy: -94.671 tors. eta vs tors. theta energy: -65.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2749.932553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.932553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.932553 (E_RNA) where: Base-Base interactions energy: -1856.308 where: short stacking energy: -862.469 Base-Backbone interact. energy: 0.885 local terms energy: -894.509104 where: bonds (distance) C4'-P energy: -177.862 bonds (distance) P-C4' energy: -191.253 flat angles C4'-P-C4' energy: -207.918 flat angles P-C4'-P energy: -100.372 tors. eta vs tors. theta energy: -217.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2445.045461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.045461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.045461 (E_RNA) where: Base-Base interactions energy: -1570.034 where: short stacking energy: -764.296 Base-Backbone interact. energy: 0.078 local terms energy: -875.089712 where: bonds (distance) C4'-P energy: -172.414 bonds (distance) P-C4' energy: -196.304 flat angles C4'-P-C4' energy: -205.876 flat angles P-C4'-P energy: -107.508 tors. eta vs tors. theta energy: -192.988 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: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -2162.904307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.904307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.904307 (E_RNA) where: Base-Base interactions energy: -1371.181 where: short stacking energy: -648.008 Base-Backbone interact. energy: 0.417 local terms energy: -792.140209 where: bonds (distance) C4'-P energy: -161.117 bonds (distance) P-C4' energy: -158.772 flat angles C4'-P-C4' energy: -192.731 flat angles P-C4'-P energy: -126.718 tors. eta vs tors. theta energy: -152.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2290.623352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.623352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.623352 (E_RNA) where: Base-Base interactions energy: -1519.498 where: short stacking energy: -666.213 Base-Backbone interact. energy: -0.814 local terms energy: -770.310939 where: bonds (distance) C4'-P energy: -167.858 bonds (distance) P-C4' energy: -165.328 flat angles C4'-P-C4' energy: -175.762 flat angles P-C4'-P energy: -112.011 tors. eta vs tors. theta energy: -149.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1991.803368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.803368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.803368 (E_RNA) where: Base-Base interactions energy: -1280.817 where: short stacking energy: -596.379 Base-Backbone interact. energy: 0.452 local terms energy: -711.438076 where: bonds (distance) C4'-P energy: -160.478 bonds (distance) P-C4' energy: -167.049 flat angles C4'-P-C4' energy: -167.619 flat angles P-C4'-P energy: -97.423 tors. eta vs tors. theta energy: -118.869 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: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1879.577545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.577545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.577545 (E_RNA) where: Base-Base interactions energy: -1153.900 where: short stacking energy: -560.792 Base-Backbone interact. energy: -0.973 local terms energy: -724.704491 where: bonds (distance) C4'-P energy: -177.077 bonds (distance) P-C4' energy: -170.179 flat angles C4'-P-C4' energy: -154.331 flat angles P-C4'-P energy: -104.853 tors. eta vs tors. theta energy: -118.264 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: 19 Temperature: 1.200000 Total energy: -1734.870871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.870871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.870871 (E_RNA) where: Base-Base interactions energy: -1069.625 where: short stacking energy: -498.891 Base-Backbone interact. energy: -0.675 local terms energy: -664.571381 where: bonds (distance) C4'-P energy: -170.197 bonds (distance) P-C4' energy: -156.116 flat angles C4'-P-C4' energy: -163.360 flat angles P-C4'-P energy: -85.809 tors. eta vs tors. theta energy: -89.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1579.176086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.176086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.176086 (E_RNA) where: Base-Base interactions energy: -964.342 where: short stacking energy: -458.648 Base-Backbone interact. energy: 2.808 local terms energy: -617.642351 where: bonds (distance) C4'-P energy: -146.066 bonds (distance) P-C4' energy: -153.663 flat angles C4'-P-C4' energy: -150.594 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -79.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1292.548361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.548361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.548361 (E_RNA) where: Base-Base interactions energy: -716.466 where: short stacking energy: -382.466 Base-Backbone interact. energy: -1.025 local terms energy: -575.056774 where: bonds (distance) C4'-P energy: -131.830 bonds (distance) P-C4' energy: -159.245 flat angles C4'-P-C4' energy: -140.184 flat angles P-C4'-P energy: -86.125 tors. eta vs tors. theta energy: -57.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1585.791272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.791272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.791272 (E_RNA) where: Base-Base interactions energy: -1024.983 where: short stacking energy: -471.045 Base-Backbone interact. energy: 0.513 local terms energy: -561.321527 where: bonds (distance) C4'-P energy: -129.462 bonds (distance) P-C4' energy: -139.493 flat angles C4'-P-C4' energy: -131.208 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -70.176 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: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2756.917924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.917924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.917924 (E_RNA) where: Base-Base interactions energy: -1860.427 where: short stacking energy: -857.819 Base-Backbone interact. energy: -1.720 local terms energy: -894.771610 where: bonds (distance) C4'-P energy: -180.213 bonds (distance) P-C4' energy: -193.725 flat angles C4'-P-C4' energy: -197.064 flat angles P-C4'-P energy: -117.397 tors. eta vs tors. theta energy: -206.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2565.939188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.939188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.939188 (E_RNA) where: Base-Base interactions energy: -1701.654 where: short stacking energy: -784.714 Base-Backbone interact. energy: -0.092 local terms energy: -864.192526 where: bonds (distance) C4'-P energy: -171.741 bonds (distance) P-C4' energy: -190.548 flat angles C4'-P-C4' energy: -190.874 flat angles P-C4'-P energy: -113.310 tors. eta vs tors. theta energy: -197.719 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2379.854965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.854965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.854965 (E_RNA) where: Base-Base interactions energy: -1545.193 where: short stacking energy: -698.036 Base-Backbone interact. energy: -2.311 local terms energy: -832.351331 where: bonds (distance) C4'-P energy: -169.562 bonds (distance) P-C4' energy: -181.149 flat angles C4'-P-C4' energy: -197.719 flat angles P-C4'-P energy: -134.093 tors. eta vs tors. theta energy: -149.829 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: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2106.746977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.746977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.746977 (E_RNA) where: Base-Base interactions energy: -1359.170 where: short stacking energy: -621.875 Base-Backbone interact. energy: -2.302 local terms energy: -745.275314 where: bonds (distance) C4'-P energy: -166.083 bonds (distance) P-C4' energy: -152.679 flat angles C4'-P-C4' energy: -178.164 flat angles P-C4'-P energy: -119.262 tors. eta vs tors. theta energy: -129.089 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: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -2004.698036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.698036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.698036 (E_RNA) where: Base-Base interactions energy: -1233.689 where: short stacking energy: -568.791 Base-Backbone interact. energy: -0.506 local terms energy: -770.502391 where: bonds (distance) C4'-P energy: -171.322 bonds (distance) P-C4' energy: -174.086 flat angles C4'-P-C4' energy: -187.263 flat angles P-C4'-P energy: -101.303 tors. eta vs tors. theta energy: -136.528 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: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1920.592953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.592953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.592953 (E_RNA) where: Base-Base interactions energy: -1189.580 where: short stacking energy: -554.894 Base-Backbone interact. energy: 2.319 local terms energy: -733.331339 where: bonds (distance) C4'-P energy: -155.293 bonds (distance) P-C4' energy: -170.754 flat angles C4'-P-C4' energy: -188.557 flat angles P-C4'-P energy: -101.815 tors. eta vs tors. theta energy: -116.913 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: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1771.444819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.444819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.444819 (E_RNA) where: Base-Base interactions energy: -1110.485 where: short stacking energy: -507.809 Base-Backbone interact. energy: 0.634 local terms energy: -661.594172 where: bonds (distance) C4'-P energy: -128.441 bonds (distance) P-C4' energy: -169.585 flat angles C4'-P-C4' energy: -153.670 flat angles P-C4'-P energy: -116.522 tors. eta vs tors. theta energy: -93.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1726.897534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.897534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.897534 (E_RNA) where: Base-Base interactions energy: -1099.846 where: short stacking energy: -470.535 Base-Backbone interact. energy: -1.384 local terms energy: -625.667247 where: bonds (distance) C4'-P energy: -152.439 bonds (distance) P-C4' energy: -141.274 flat angles C4'-P-C4' energy: -156.670 flat angles P-C4'-P energy: -93.295 tors. eta vs tors. theta energy: -81.990 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: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1574.528786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.528786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.528786 (E_RNA) where: Base-Base interactions energy: -994.298 where: short stacking energy: -438.336 Base-Backbone interact. energy: -2.791 local terms energy: -577.439584 where: bonds (distance) C4'-P energy: -139.501 bonds (distance) P-C4' energy: -149.583 flat angles C4'-P-C4' energy: -142.035 flat angles P-C4'-P energy: -73.090 tors. eta vs tors. theta energy: -73.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1249.868985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.868985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.868985 (E_RNA) where: Base-Base interactions energy: -736.981 where: short stacking energy: -368.641 Base-Backbone interact. energy: -0.661 local terms energy: -512.226678 where: bonds (distance) C4'-P energy: -144.222 bonds (distance) P-C4' energy: -146.557 flat angles C4'-P-C4' energy: -111.791 flat angles P-C4'-P energy: -74.407 tors. eta vs tors. theta energy: -35.249 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: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2728.208487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.208487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.208487 (E_RNA) where: Base-Base interactions energy: -1816.855 where: short stacking energy: -833.351 Base-Backbone interact. energy: -1.922 local terms energy: -909.431461 where: bonds (distance) C4'-P energy: -168.668 bonds (distance) P-C4' energy: -199.076 flat angles C4'-P-C4' energy: -196.123 flat angles P-C4'-P energy: -136.906 tors. eta vs tors. theta energy: -208.658 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: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2559.770940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.770940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.770940 (E_RNA) where: Base-Base interactions energy: -1679.857 where: short stacking energy: -782.013 Base-Backbone interact. energy: 0.864 local terms energy: -880.777750 where: bonds (distance) C4'-P energy: -181.021 bonds (distance) P-C4' energy: -179.579 flat angles C4'-P-C4' energy: -195.728 flat angles P-C4'-P energy: -119.527 tors. eta vs tors. theta energy: -204.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2486.587601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.587601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.587601 (E_RNA) where: Base-Base interactions energy: -1635.607 where: short stacking energy: -734.319 Base-Backbone interact. energy: -0.068 local terms energy: -850.912251 where: bonds (distance) C4'-P energy: -174.476 bonds (distance) P-C4' energy: -178.772 flat angles C4'-P-C4' energy: -194.811 flat angles P-C4'-P energy: -116.601 tors. eta vs tors. theta energy: -186.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2116.686083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.686083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.686083 (E_RNA) where: Base-Base interactions energy: -1331.661 where: short stacking energy: -612.257 Base-Backbone interact. energy: 0.309 local terms energy: -785.333516 where: bonds (distance) C4'-P energy: -154.495 bonds (distance) P-C4' energy: -176.390 flat angles C4'-P-C4' energy: -197.021 flat angles P-C4'-P energy: -124.254 tors. eta vs tors. theta energy: -133.174 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: 21 Temperature: 1.100000 Total energy: -2089.270372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.270372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.270372 (E_RNA) where: Base-Base interactions energy: -1347.984 where: short stacking energy: -626.475 Base-Backbone interact. energy: -0.430 local terms energy: -740.856662 where: bonds (distance) C4'-P energy: -152.126 bonds (distance) P-C4' energy: -165.468 flat angles C4'-P-C4' energy: -167.995 flat angles P-C4'-P energy: -114.316 tors. eta vs tors. theta energy: -140.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1932.016021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.016021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.016021 (E_RNA) where: Base-Base interactions energy: -1241.325 where: short stacking energy: -590.466 Base-Backbone interact. energy: 0.101 local terms energy: -690.791970 where: bonds (distance) C4'-P energy: -144.632 bonds (distance) P-C4' energy: -161.760 flat angles C4'-P-C4' energy: -167.720 flat angles P-C4'-P energy: -91.372 tors. eta vs tors. theta energy: -125.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1832.402519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.402519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.402519 (E_RNA) where: Base-Base interactions energy: -1175.376 where: short stacking energy: -530.126 Base-Backbone interact. energy: 2.774 local terms energy: -659.800688 where: bonds (distance) C4'-P energy: -146.877 bonds (distance) P-C4' energy: -164.528 flat angles C4'-P-C4' energy: -149.764 flat angles P-C4'-P energy: -110.121 tors. eta vs tors. theta energy: -88.512 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: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1942.281368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.281368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.281368 (E_RNA) where: Base-Base interactions energy: -1287.234 where: short stacking energy: -542.445 Base-Backbone interact. energy: -3.035 local terms energy: -652.011499 where: bonds (distance) C4'-P energy: -143.300 bonds (distance) P-C4' energy: -165.596 flat angles C4'-P-C4' energy: -129.062 flat angles P-C4'-P energy: -106.663 tors. eta vs tors. theta energy: -107.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1643.537472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.537472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.537472 (E_RNA) where: Base-Base interactions energy: -1049.039 where: short stacking energy: -466.418 Base-Backbone interact. energy: -0.906 local terms energy: -593.593278 where: bonds (distance) C4'-P energy: -127.620 bonds (distance) P-C4' energy: -154.468 flat angles C4'-P-C4' energy: -149.501 flat angles P-C4'-P energy: -77.617 tors. eta vs tors. theta energy: -84.387 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: 1 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1250.705912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.705912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.705912 (E_RNA) where: Base-Base interactions energy: -721.027 where: short stacking energy: -312.872 Base-Backbone interact. energy: 9.165 local terms energy: -538.843911 where: bonds (distance) C4'-P energy: -155.140 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -126.342 flat angles P-C4'-P energy: -85.228 tors. eta vs tors. theta energy: -28.285 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: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2765.604121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.604121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.604121 (E_RNA) where: Base-Base interactions energy: -1846.648 where: short stacking energy: -840.036 Base-Backbone interact. energy: -1.155 local terms energy: -917.801788 where: bonds (distance) C4'-P energy: -179.910 bonds (distance) P-C4' energy: -181.731 flat angles C4'-P-C4' energy: -206.095 flat angles P-C4'-P energy: -131.533 tors. eta vs tors. theta energy: -218.532 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: 5 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2572.386578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.386578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.386578 (E_RNA) where: Base-Base interactions energy: -1704.395 where: short stacking energy: -801.582 Base-Backbone interact. energy: -0.247 local terms energy: -867.745011 where: bonds (distance) C4'-P energy: -178.396 bonds (distance) P-C4' energy: -183.049 flat angles C4'-P-C4' energy: -211.505 flat angles P-C4'-P energy: -112.209 tors. eta vs tors. theta energy: -182.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2518.647020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.647020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.647020 (E_RNA) where: Base-Base interactions energy: -1699.481 where: short stacking energy: -729.662 Base-Backbone interact. energy: -2.861 local terms energy: -816.304177 where: bonds (distance) C4'-P energy: -174.409 bonds (distance) P-C4' energy: -172.886 flat angles C4'-P-C4' energy: -191.471 flat angles P-C4'-P energy: -116.002 tors. eta vs tors. theta energy: -161.535 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: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2224.944460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.944460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.944460 (E_RNA) where: Base-Base interactions energy: -1400.146 where: short stacking energy: -652.499 Base-Backbone interact. energy: -5.370 local terms energy: -819.428302 where: bonds (distance) C4'-P energy: -175.675 bonds (distance) P-C4' energy: -182.612 flat angles C4'-P-C4' energy: -187.053 flat angles P-C4'-P energy: -113.455 tors. eta vs tors. theta energy: -160.633 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: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -2105.742769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.742769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.742769 (E_RNA) where: Base-Base interactions energy: -1358.597 where: short stacking energy: -659.480 Base-Backbone interact. energy: -1.463 local terms energy: -745.682390 where: bonds (distance) C4'-P energy: -167.988 bonds (distance) P-C4' energy: -173.623 flat angles C4'-P-C4' energy: -160.981 flat angles P-C4'-P energy: -111.149 tors. eta vs tors. theta energy: -131.940 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: 22 Temperature: 1.150000 Total energy: -2047.783759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.783759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.783759 (E_RNA) where: Base-Base interactions energy: -1329.918 where: short stacking energy: -592.049 Base-Backbone interact. energy: -1.304 local terms energy: -716.561815 where: bonds (distance) C4'-P energy: -155.338 bonds (distance) P-C4' energy: -145.046 flat angles C4'-P-C4' energy: -179.326 flat angles P-C4'-P energy: -111.923 tors. eta vs tors. theta energy: -124.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -2160.770288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.770288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.770288 (E_RNA) where: Base-Base interactions energy: -1430.140 where: short stacking energy: -595.247 Base-Backbone interact. energy: 6.835 local terms energy: -737.464844 where: bonds (distance) C4'-P energy: -158.671 bonds (distance) P-C4' energy: -151.650 flat angles C4'-P-C4' energy: -169.684 flat angles P-C4'-P energy: -119.127 tors. eta vs tors. theta energy: -138.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1799.680893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.680893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.680893 (E_RNA) where: Base-Base interactions energy: -1174.199 where: short stacking energy: -516.029 Base-Backbone interact. energy: 2.586 local terms energy: -628.068111 where: bonds (distance) C4'-P energy: -136.492 bonds (distance) P-C4' energy: -142.746 flat angles C4'-P-C4' energy: -153.115 flat angles P-C4'-P energy: -92.966 tors. eta vs tors. theta energy: -102.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1711.364763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.364763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.364763 (E_RNA) where: Base-Base interactions energy: -1066.012 where: short stacking energy: -484.698 Base-Backbone interact. energy: 2.262 local terms energy: -647.614929 where: bonds (distance) C4'-P energy: -154.681 bonds (distance) P-C4' energy: -149.158 flat angles C4'-P-C4' energy: -146.453 flat angles P-C4'-P energy: -80.629 tors. eta vs tors. theta energy: -116.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1350.740220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.740220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.740220 (E_RNA) where: Base-Base interactions energy: -802.466 where: short stacking energy: -388.456 Base-Backbone interact. energy: 0.778 local terms energy: -549.051482 where: bonds (distance) C4'-P energy: -140.394 bonds (distance) P-C4' energy: -141.205 flat angles C4'-P-C4' energy: -134.980 flat angles P-C4'-P energy: -100.677 tors. eta vs tors. theta energy: -31.796 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: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2768.285137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.285137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.285137 (E_RNA) where: Base-Base interactions energy: -1854.872 where: short stacking energy: -862.777 Base-Backbone interact. energy: 1.653 local terms energy: -915.066473 where: bonds (distance) C4'-P energy: -187.308 bonds (distance) P-C4' energy: -176.002 flat angles C4'-P-C4' energy: -201.207 flat angles P-C4'-P energy: -128.754 tors. eta vs tors. theta energy: -221.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2721.001716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.001716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.001716 (E_RNA) where: Base-Base interactions energy: -1843.918 where: short stacking energy: -790.600 Base-Backbone interact. energy: -1.364 local terms energy: -875.719560 where: bonds (distance) C4'-P energy: -177.930 bonds (distance) P-C4' energy: -181.863 flat angles C4'-P-C4' energy: -192.278 flat angles P-C4'-P energy: -124.355 tors. eta vs tors. theta energy: -199.294 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: 3, replica: 5 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2505.324832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.324832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.324832 (E_RNA) where: Base-Base interactions energy: -1692.876 where: short stacking energy: -762.513 Base-Backbone interact. energy: -1.296 local terms energy: -811.153633 where: bonds (distance) C4'-P energy: -170.208 bonds (distance) P-C4' energy: -174.780 flat angles C4'-P-C4' energy: -179.741 flat angles P-C4'-P energy: -115.544 tors. eta vs tors. theta energy: -170.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2203.255197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.255197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.255197 (E_RNA) where: Base-Base interactions energy: -1420.506 where: short stacking energy: -640.634 Base-Backbone interact. energy: -2.276 local terms energy: -780.472452 where: bonds (distance) C4'-P energy: -182.658 bonds (distance) P-C4' energy: -180.113 flat angles C4'-P-C4' energy: -184.296 flat angles P-C4'-P energy: -94.706 tors. eta vs tors. theta energy: -138.699 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: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2208.423379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.423379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.423379 (E_RNA) where: Base-Base interactions energy: -1442.216 where: short stacking energy: -666.726 Base-Backbone interact. energy: 0.185 local terms energy: -766.392013 where: bonds (distance) C4'-P energy: -138.177 bonds (distance) P-C4' energy: -160.574 flat angles C4'-P-C4' energy: -191.481 flat angles P-C4'-P energy: -120.852 tors. eta vs tors. theta energy: -155.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -2341.295100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.295100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.295100 (E_RNA) where: Base-Base interactions energy: -1581.348 where: short stacking energy: -680.272 Base-Backbone interact. energy: 4.183 local terms energy: -764.129924 where: bonds (distance) C4'-P energy: -169.302 bonds (distance) P-C4' energy: -150.812 flat angles C4'-P-C4' energy: -172.477 flat angles P-C4'-P energy: -103.957 tors. eta vs tors. theta energy: -167.582 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: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1987.604666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.604666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.604666 (E_RNA) where: Base-Base interactions energy: -1296.144 where: short stacking energy: -575.189 Base-Backbone interact. energy: -2.446 local terms energy: -689.014678 where: bonds (distance) C4'-P energy: -154.126 bonds (distance) P-C4' energy: -163.261 flat angles C4'-P-C4' energy: -156.965 flat angles P-C4'-P energy: -94.277 tors. eta vs tors. theta energy: -120.385 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: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1832.274496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.274496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.274496 (E_RNA) where: Base-Base interactions energy: -1189.510 where: short stacking energy: -502.709 Base-Backbone interact. energy: -0.081 local terms energy: -642.683292 where: bonds (distance) C4'-P energy: -143.547 bonds (distance) P-C4' energy: -158.835 flat angles C4'-P-C4' energy: -142.711 flat angles P-C4'-P energy: -104.294 tors. eta vs tors. theta energy: -93.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1714.257911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.257911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.257911 (E_RNA) where: Base-Base interactions energy: -1100.466 where: short stacking energy: -470.516 Base-Backbone interact. energy: 1.109 local terms energy: -614.900880 where: bonds (distance) C4'-P energy: -143.991 bonds (distance) P-C4' energy: -146.278 flat angles C4'-P-C4' energy: -132.980 flat angles P-C4'-P energy: -111.784 tors. eta vs tors. theta energy: -79.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1416.115294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.115294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.115294 (E_RNA) where: Base-Base interactions energy: -834.485 where: short stacking energy: -386.530 Base-Backbone interact. energy: 4.680 local terms energy: -586.310416 where: bonds (distance) C4'-P energy: -149.324 bonds (distance) P-C4' energy: -143.151 flat angles C4'-P-C4' energy: -136.034 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -54.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2757.634048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.634048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.634048 (E_RNA) where: Base-Base interactions energy: -1824.576 where: short stacking energy: -822.992 Base-Backbone interact. energy: -3.955 local terms energy: -929.103327 where: bonds (distance) C4'-P energy: -182.581 bonds (distance) P-C4' energy: -205.371 flat angles C4'-P-C4' energy: -203.847 flat angles P-C4'-P energy: -137.574 tors. eta vs tors. theta energy: -199.731 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: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2714.221296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.221296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.221296 (E_RNA) where: Base-Base interactions energy: -1857.467 where: short stacking energy: -810.769 Base-Backbone interact. energy: 0.581 local terms energy: -857.335150 where: bonds (distance) C4'-P energy: -172.146 bonds (distance) P-C4' energy: -189.695 flat angles C4'-P-C4' energy: -187.060 flat angles P-C4'-P energy: -120.656 tors. eta vs tors. theta energy: -187.778 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: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2496.903626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.903626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.903626 (E_RNA) where: Base-Base interactions energy: -1673.234 where: short stacking energy: -749.821 Base-Backbone interact. energy: -0.266 local terms energy: -823.404049 where: bonds (distance) C4'-P energy: -175.647 bonds (distance) P-C4' energy: -181.594 flat angles C4'-P-C4' energy: -176.666 flat angles P-C4'-P energy: -114.398 tors. eta vs tors. theta energy: -175.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2211.312958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.312958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.312958 (E_RNA) where: Base-Base interactions energy: -1412.043 where: short stacking energy: -646.870 Base-Backbone interact. energy: 1.916 local terms energy: -801.186019 where: bonds (distance) C4'-P energy: -179.165 bonds (distance) P-C4' energy: -166.554 flat angles C4'-P-C4' energy: -174.250 flat angles P-C4'-P energy: -120.598 tors. eta vs tors. theta energy: -160.619 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: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2473.494942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.494942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.494942 (E_RNA) where: Base-Base interactions energy: -1655.106 where: short stacking energy: -681.259 Base-Backbone interact. energy: -2.181 local terms energy: -816.208079 where: bonds (distance) C4'-P energy: -173.311 bonds (distance) P-C4' energy: -170.521 flat angles C4'-P-C4' energy: -190.069 flat angles P-C4'-P energy: -126.284 tors. eta vs tors. theta energy: -156.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -2166.098155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.098155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.098155 (E_RNA) where: Base-Base interactions energy: -1450.784 where: short stacking energy: -616.916 Base-Backbone interact. energy: 0.633 local terms energy: -715.946874 where: bonds (distance) C4'-P energy: -166.660 bonds (distance) P-C4' energy: -141.842 flat angles C4'-P-C4' energy: -175.364 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -129.928 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: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -2115.807977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.807977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.807977 (E_RNA) where: Base-Base interactions energy: -1398.308 where: short stacking energy: -649.476 Base-Backbone interact. energy: 1.171 local terms energy: -718.670850 where: bonds (distance) C4'-P energy: -142.993 bonds (distance) P-C4' energy: -156.768 flat angles C4'-P-C4' energy: -161.484 flat angles P-C4'-P energy: -111.662 tors. eta vs tors. theta energy: -145.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1814.095386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.095386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.095386 (E_RNA) where: Base-Base interactions energy: -1164.183 where: short stacking energy: -545.047 Base-Backbone interact. energy: -0.051 local terms energy: -649.861079 where: bonds (distance) C4'-P energy: -144.839 bonds (distance) P-C4' energy: -153.531 flat angles C4'-P-C4' energy: -157.910 flat angles P-C4'-P energy: -90.355 tors. eta vs tors. theta energy: -103.226 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: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1798.203742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.203742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.203742 (E_RNA) where: Base-Base interactions energy: -1170.935 where: short stacking energy: -527.741 Base-Backbone interact. energy: -2.282 local terms energy: -624.987425 where: bonds (distance) C4'-P energy: -134.066 bonds (distance) P-C4' energy: -150.850 flat angles C4'-P-C4' energy: -140.613 flat angles P-C4'-P energy: -98.839 tors. eta vs tors. theta energy: -100.621 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: 24 Temperature: 1.350000 Total energy: -1398.908027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.908027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.908027 (E_RNA) where: Base-Base interactions energy: -859.363 where: short stacking energy: -400.431 Base-Backbone interact. energy: 4.114 local terms energy: -543.658876 where: bonds (distance) C4'-P energy: -127.574 bonds (distance) P-C4' energy: -139.955 flat angles C4'-P-C4' energy: -150.608 flat angles P-C4'-P energy: -66.888 tors. eta vs tors. theta energy: -58.635 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: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2789.086371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.086371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.086371 (E_RNA) where: Base-Base interactions energy: -1901.586 where: short stacking energy: -859.338 Base-Backbone interact. energy: 2.159 local terms energy: -889.659420 where: bonds (distance) C4'-P energy: -186.014 bonds (distance) P-C4' energy: -183.592 flat angles C4'-P-C4' energy: -205.422 flat angles P-C4'-P energy: -110.195 tors. eta vs tors. theta energy: -204.437 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: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2773.417945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.417945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.417945 (E_RNA) where: Base-Base interactions energy: -1913.285 where: short stacking energy: -825.288 Base-Backbone interact. energy: 3.123 local terms energy: -863.255971 where: bonds (distance) C4'-P energy: -173.324 bonds (distance) P-C4' energy: -181.798 flat angles C4'-P-C4' energy: -196.055 flat angles P-C4'-P energy: -114.683 tors. eta vs tors. theta energy: -197.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2487.215230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.215230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.215230 (E_RNA) where: Base-Base interactions energy: -1660.326 where: short stacking energy: -778.186 Base-Backbone interact. energy: -1.737 local terms energy: -825.152787 where: bonds (distance) C4'-P energy: -165.915 bonds (distance) P-C4' energy: -163.802 flat angles C4'-P-C4' energy: -198.091 flat angles P-C4'-P energy: -112.907 tors. eta vs tors. theta energy: -184.437 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: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2636.617674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.617674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.617674 (E_RNA) where: Base-Base interactions energy: -1800.797 where: short stacking energy: -769.697 Base-Backbone interact. energy: -3.041 local terms energy: -832.779468 where: bonds (distance) C4'-P energy: -165.429 bonds (distance) P-C4' energy: -175.739 flat angles C4'-P-C4' energy: -175.737 flat angles P-C4'-P energy: -113.149 tors. eta vs tors. theta energy: -202.725 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: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2180.349116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.349116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.349116 (E_RNA) where: Base-Base interactions energy: -1439.262 where: short stacking energy: -614.150 Base-Backbone interact. energy: -2.184 local terms energy: -738.902324 where: bonds (distance) C4'-P energy: -156.500 bonds (distance) P-C4' energy: -170.667 flat angles C4'-P-C4' energy: -172.079 flat angles P-C4'-P energy: -110.691 tors. eta vs tors. theta energy: -128.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -2159.413805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.413805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.413805 (E_RNA) where: Base-Base interactions energy: -1443.499 where: short stacking energy: -618.375 Base-Backbone interact. energy: 2.915 local terms energy: -718.829901 where: bonds (distance) C4'-P energy: -141.421 bonds (distance) P-C4' energy: -156.857 flat angles C4'-P-C4' energy: -174.104 flat angles P-C4'-P energy: -111.108 tors. eta vs tors. theta energy: -135.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -2105.441445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.441445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.441445 (E_RNA) where: Base-Base interactions energy: -1371.249 where: short stacking energy: -586.316 Base-Backbone interact. energy: 2.762 local terms energy: -736.954548 where: bonds (distance) C4'-P energy: -158.445 bonds (distance) P-C4' energy: -172.854 flat angles C4'-P-C4' energy: -172.876 flat angles P-C4'-P energy: -99.355 tors. eta vs tors. theta energy: -133.425 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: 3 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1806.959116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.959116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.959116 (E_RNA) where: Base-Base interactions energy: -1177.869 where: short stacking energy: -535.070 Base-Backbone interact. energy: 0.019 local terms energy: -629.109435 where: bonds (distance) C4'-P energy: -136.727 bonds (distance) P-C4' energy: -153.651 flat angles C4'-P-C4' energy: -145.226 flat angles P-C4'-P energy: -96.902 tors. eta vs tors. theta energy: -96.603 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: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1829.023421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.023421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.023421 (E_RNA) where: Base-Base interactions energy: -1185.082 where: short stacking energy: -568.591 Base-Backbone interact. energy: 1.240 local terms energy: -645.181222 where: bonds (distance) C4'-P energy: -131.667 bonds (distance) P-C4' energy: -142.722 flat angles C4'-P-C4' energy: -161.407 flat angles P-C4'-P energy: -88.705 tors. eta vs tors. theta energy: -120.680 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: 25 Temperature: 1.350000 Total energy: -1360.474272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.474272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.474272 (E_RNA) where: Base-Base interactions energy: -817.376 where: short stacking energy: -387.169 Base-Backbone interact. energy: -0.462 local terms energy: -542.636613 where: bonds (distance) C4'-P energy: -136.504 bonds (distance) P-C4' energy: -141.404 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -69.617 tors. eta vs tors. theta energy: -55.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2765.494254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.494254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.494254 (E_RNA) where: Base-Base interactions energy: -1862.952 where: short stacking energy: -855.046 Base-Backbone interact. energy: -3.503 local terms energy: -899.039004 where: bonds (distance) C4'-P energy: -185.791 bonds (distance) P-C4' energy: -175.434 flat angles C4'-P-C4' energy: -199.567 flat angles P-C4'-P energy: -119.833 tors. eta vs tors. theta energy: -218.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2722.395239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.395239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.395239 (E_RNA) where: Base-Base interactions energy: -1798.589 where: short stacking energy: -774.658 Base-Backbone interact. energy: -4.104 local terms energy: -919.702057 where: bonds (distance) C4'-P energy: -188.869 bonds (distance) P-C4' energy: -190.019 flat angles C4'-P-C4' energy: -206.958 flat angles P-C4'-P energy: -134.482 tors. eta vs tors. theta energy: -199.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2778.444774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.444774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.444774 (E_RNA) where: Base-Base interactions energy: -1882.633 where: short stacking energy: -844.547 Base-Backbone interact. energy: -1.248 local terms energy: -894.564319 where: bonds (distance) C4'-P energy: -176.096 bonds (distance) P-C4' energy: -176.334 flat angles C4'-P-C4' energy: -202.560 flat angles P-C4'-P energy: -124.869 tors. eta vs tors. theta energy: -214.706 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: 26 Temperature: 1.050000 Total energy: -2484.671347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.671347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.671347 (E_RNA) where: Base-Base interactions energy: -1643.370 where: short stacking energy: -721.512 Base-Backbone interact. energy: -2.524 local terms energy: -838.777057 where: bonds (distance) C4'-P energy: -179.442 bonds (distance) P-C4' energy: -162.360 flat angles C4'-P-C4' energy: -195.247 flat angles P-C4'-P energy: -114.411 tors. eta vs tors. theta energy: -187.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2338.009590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.009590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.009590 (E_RNA) where: Base-Base interactions energy: -1545.512 where: short stacking energy: -652.764 Base-Backbone interact. energy: -0.924 local terms energy: -791.573617 where: bonds (distance) C4'-P energy: -163.226 bonds (distance) P-C4' energy: -174.241 flat angles C4'-P-C4' energy: -191.156 flat angles P-C4'-P energy: -102.109 tors. eta vs tors. theta energy: -160.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -2144.575345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.575345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.575345 (E_RNA) where: Base-Base interactions energy: -1391.692 where: short stacking energy: -633.926 Base-Backbone interact. energy: 0.549 local terms energy: -753.432240 where: bonds (distance) C4'-P energy: -151.709 bonds (distance) P-C4' energy: -179.824 flat angles C4'-P-C4' energy: -162.809 flat angles P-C4'-P energy: -102.495 tors. eta vs tors. theta energy: -156.596 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: 7, replica: 8 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -2140.248276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.248276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.248276 (E_RNA) where: Base-Base interactions energy: -1405.692 where: short stacking energy: -623.880 Base-Backbone interact. energy: 6.016 local terms energy: -740.572088 where: bonds (distance) C4'-P energy: -148.423 bonds (distance) P-C4' energy: -156.838 flat angles C4'-P-C4' energy: -165.551 flat angles P-C4'-P energy: -114.424 tors. eta vs tors. theta energy: -155.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1757.377679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.377679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.377679 (E_RNA) where: Base-Base interactions energy: -1100.096 where: short stacking energy: -490.843 Base-Backbone interact. energy: -0.996 local terms energy: -656.285076 where: bonds (distance) C4'-P energy: -131.480 bonds (distance) P-C4' energy: -163.765 flat angles C4'-P-C4' energy: -153.842 flat angles P-C4'-P energy: -102.952 tors. eta vs tors. theta energy: -104.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1786.409062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.409062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.409062 (E_RNA) where: Base-Base interactions energy: -1167.824 where: short stacking energy: -507.492 Base-Backbone interact. energy: -4.593 local terms energy: -613.991869 where: bonds (distance) C4'-P energy: -138.802 bonds (distance) P-C4' energy: -147.397 flat angles C4'-P-C4' energy: -154.590 flat angles P-C4'-P energy: -78.084 tors. eta vs tors. theta energy: -95.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1321.006783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.006783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.006783 (E_RNA) where: Base-Base interactions energy: -791.825 where: short stacking energy: -352.352 Base-Backbone interact. energy: -0.283 local terms energy: -528.899032 where: bonds (distance) C4'-P energy: -135.693 bonds (distance) P-C4' energy: -144.068 flat angles C4'-P-C4' energy: -126.189 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -32.346 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: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2780.755234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.755234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.755234 (E_RNA) where: Base-Base interactions energy: -1878.460 where: short stacking energy: -852.831 Base-Backbone interact. energy: -2.429 local terms energy: -899.865615 where: bonds (distance) C4'-P energy: -163.720 bonds (distance) P-C4' energy: -183.306 flat angles C4'-P-C4' energy: -201.671 flat angles P-C4'-P energy: -134.531 tors. eta vs tors. theta energy: -216.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2829.753444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.753444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.753444 (E_RNA) where: Base-Base interactions energy: -1897.224 where: short stacking energy: -820.171 Base-Backbone interact. energy: -3.550 local terms energy: -928.979501 where: bonds (distance) C4'-P energy: -179.895 bonds (distance) P-C4' energy: -187.004 flat angles C4'-P-C4' energy: -214.964 flat angles P-C4'-P energy: -135.918 tors. eta vs tors. theta energy: -211.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2641.558806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.558806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.558806 (E_RNA) where: Base-Base interactions energy: -1785.784 where: short stacking energy: -787.960 Base-Backbone interact. energy: 0.728 local terms energy: -856.503088 where: bonds (distance) C4'-P energy: -165.341 bonds (distance) P-C4' energy: -177.339 flat angles C4'-P-C4' energy: -183.381 flat angles P-C4'-P energy: -131.617 tors. eta vs tors. theta energy: -198.825 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: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2539.361511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.361511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.361511 (E_RNA) where: Base-Base interactions energy: -1715.549 where: short stacking energy: -771.705 Base-Backbone interact. energy: 1.618 local terms energy: -825.430331 where: bonds (distance) C4'-P energy: -163.819 bonds (distance) P-C4' energy: -186.116 flat angles C4'-P-C4' energy: -182.247 flat angles P-C4'-P energy: -115.980 tors. eta vs tors. theta energy: -177.268 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: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2394.352476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.352476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.352476 (E_RNA) where: Base-Base interactions energy: -1619.902 where: short stacking energy: -685.674 Base-Backbone interact. energy: -0.118 local terms energy: -774.332799 where: bonds (distance) C4'-P energy: -158.562 bonds (distance) P-C4' energy: -162.911 flat angles C4'-P-C4' energy: -186.160 flat angles P-C4'-P energy: -114.432 tors. eta vs tors. theta energy: -152.268 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: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -2288.616295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.616295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.616295 (E_RNA) where: Base-Base interactions energy: -1523.181 where: short stacking energy: -693.163 Base-Backbone interact. energy: 0.284 local terms energy: -765.719644 where: bonds (distance) C4'-P energy: -136.303 bonds (distance) P-C4' energy: -164.458 flat angles C4'-P-C4' energy: -186.811 flat angles P-C4'-P energy: -118.177 tors. eta vs tors. theta energy: -159.970 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: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -2013.666923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.666923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.666923 (E_RNA) where: Base-Base interactions energy: -1332.980 where: short stacking energy: -585.968 Base-Backbone interact. energy: -0.499 local terms energy: -680.187932 where: bonds (distance) C4'-P energy: -133.077 bonds (distance) P-C4' energy: -177.153 flat angles C4'-P-C4' energy: -150.510 flat angles P-C4'-P energy: -84.135 tors. eta vs tors. theta energy: -135.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1764.513115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.513115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.513115 (E_RNA) where: Base-Base interactions energy: -1128.408 where: short stacking energy: -483.175 Base-Backbone interact. energy: 2.330 local terms energy: -638.435214 where: bonds (distance) C4'-P energy: -125.333 bonds (distance) P-C4' energy: -163.175 flat angles C4'-P-C4' energy: -159.838 flat angles P-C4'-P energy: -80.737 tors. eta vs tors. theta energy: -109.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1783.005015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.005015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.005015 (E_RNA) where: Base-Base interactions energy: -1143.612 where: short stacking energy: -504.010 Base-Backbone interact. energy: -2.778 local terms energy: -636.614974 where: bonds (distance) C4'-P energy: -143.002 bonds (distance) P-C4' energy: -141.794 flat angles C4'-P-C4' energy: -170.564 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -109.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -1394.527785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.527785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.527785 (E_RNA) where: Base-Base interactions energy: -870.778 where: short stacking energy: -374.293 Base-Backbone interact. energy: 0.741 local terms energy: -524.491003 where: bonds (distance) C4'-P energy: -129.641 bonds (distance) P-C4' energy: -148.903 flat angles C4'-P-C4' energy: -145.198 flat angles P-C4'-P energy: -67.109 tors. eta vs tors. theta energy: -33.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2963.845818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.845818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.845818 (E_RNA) where: Base-Base interactions energy: -2018.392 where: short stacking energy: -905.218 Base-Backbone interact. energy: -2.615 local terms energy: -942.838320 where: bonds (distance) C4'-P energy: -179.518 bonds (distance) P-C4' energy: -186.406 flat angles C4'-P-C4' energy: -212.182 flat angles P-C4'-P energy: -135.707 tors. eta vs tors. theta energy: -229.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2717.351005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.351005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.351005 (E_RNA) where: Base-Base interactions energy: -1829.024 where: short stacking energy: -824.604 Base-Backbone interact. energy: -0.088 local terms energy: -888.239295 where: bonds (distance) C4'-P energy: -190.958 bonds (distance) P-C4' energy: -183.543 flat angles C4'-P-C4' energy: -195.232 flat angles P-C4'-P energy: -120.316 tors. eta vs tors. theta energy: -198.190 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: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2667.174606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.174606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.174606 (E_RNA) where: Base-Base interactions energy: -1804.005 where: short stacking energy: -771.482 Base-Backbone interact. energy: -0.880 local terms energy: -862.288804 where: bonds (distance) C4'-P energy: -179.266 bonds (distance) P-C4' energy: -177.215 flat angles C4'-P-C4' energy: -187.397 flat angles P-C4'-P energy: -113.345 tors. eta vs tors. theta energy: -205.065 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: 28 Temperature: 1.050000 Total energy: -2477.544074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.544074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.544074 (E_RNA) where: Base-Base interactions energy: -1641.170 where: short stacking energy: -746.634 Base-Backbone interact. energy: -0.755 local terms energy: -835.618223 where: bonds (distance) C4'-P energy: -162.067 bonds (distance) P-C4' energy: -157.661 flat angles C4'-P-C4' energy: -185.522 flat angles P-C4'-P energy: -139.800 tors. eta vs tors. theta energy: -190.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -2353.477573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.477573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.477573 (E_RNA) where: Base-Base interactions energy: -1575.803 where: short stacking energy: -690.983 Base-Backbone interact. energy: 0.584 local terms energy: -778.258605 where: bonds (distance) C4'-P energy: -163.138 bonds (distance) P-C4' energy: -148.994 flat angles C4'-P-C4' energy: -185.204 flat angles P-C4'-P energy: -109.992 tors. eta vs tors. theta energy: -170.930 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: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -2296.234161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.234161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.234161 (E_RNA) where: Base-Base interactions energy: -1520.410 where: short stacking energy: -664.230 Base-Backbone interact. energy: -1.057 local terms energy: -774.767036 where: bonds (distance) C4'-P energy: -167.212 bonds (distance) P-C4' energy: -145.375 flat angles C4'-P-C4' energy: -172.442 flat angles P-C4'-P energy: -111.451 tors. eta vs tors. theta energy: -178.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1972.602452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.602452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.602452 (E_RNA) where: Base-Base interactions energy: -1289.121 where: short stacking energy: -553.409 Base-Backbone interact. energy: -1.637 local terms energy: -681.844696 where: bonds (distance) C4'-P energy: -160.549 bonds (distance) P-C4' energy: -156.186 flat angles C4'-P-C4' energy: -155.619 flat angles P-C4'-P energy: -94.152 tors. eta vs tors. theta energy: -115.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1787.887397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.887397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.887397 (E_RNA) where: Base-Base interactions energy: -1142.337 where: short stacking energy: -509.929 Base-Backbone interact. energy: 0.849 local terms energy: -646.400164 where: bonds (distance) C4'-P energy: -128.846 bonds (distance) P-C4' energy: -154.938 flat angles C4'-P-C4' energy: -151.531 flat angles P-C4'-P energy: -115.602 tors. eta vs tors. theta energy: -95.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1900.059316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.059316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.059316 (E_RNA) where: Base-Base interactions energy: -1219.875 where: short stacking energy: -515.646 Base-Backbone interact. energy: 1.347 local terms energy: -681.531983 where: bonds (distance) C4'-P energy: -156.847 bonds (distance) P-C4' energy: -164.507 flat angles C4'-P-C4' energy: -158.135 flat angles P-C4'-P energy: -104.843 tors. eta vs tors. theta energy: -97.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -1187.238229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.238229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.238229 (E_RNA) where: Base-Base interactions energy: -694.895 where: short stacking energy: -337.399 Base-Backbone interact. energy: -1.487 local terms energy: -490.855601 where: bonds (distance) C4'-P energy: -151.678 bonds (distance) P-C4' energy: -141.642 flat angles C4'-P-C4' energy: -131.077 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -22.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -3027.385954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.385954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.385954 (E_RNA) where: Base-Base interactions energy: -2071.414 where: short stacking energy: -922.416 Base-Backbone interact. energy: -0.979 local terms energy: -954.993470 where: bonds (distance) C4'-P energy: -182.579 bonds (distance) P-C4' energy: -171.464 flat angles C4'-P-C4' energy: -212.511 flat angles P-C4'-P energy: -143.590 tors. eta vs tors. theta energy: -244.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2713.805631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.805631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.805631 (E_RNA) where: Base-Base interactions energy: -1874.402 where: short stacking energy: -801.150 Base-Backbone interact. energy: -0.211 local terms energy: -839.192499 where: bonds (distance) C4'-P energy: -168.477 bonds (distance) P-C4' energy: -175.692 flat angles C4'-P-C4' energy: -204.979 flat angles P-C4'-P energy: -105.186 tors. eta vs tors. theta energy: -184.859 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: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2784.400523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.400523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.400523 (E_RNA) where: Base-Base interactions energy: -1875.595 where: short stacking energy: -810.922 Base-Backbone interact. energy: -0.859 local terms energy: -907.947092 where: bonds (distance) C4'-P energy: -176.347 bonds (distance) P-C4' energy: -187.872 flat angles C4'-P-C4' energy: -209.396 flat angles P-C4'-P energy: -120.175 tors. eta vs tors. theta energy: -214.157 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: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2504.678428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.678428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.678428 (E_RNA) where: Base-Base interactions energy: -1699.506 where: short stacking energy: -770.823 Base-Backbone interact. energy: 2.720 local terms energy: -807.893089 where: bonds (distance) C4'-P energy: -170.426 bonds (distance) P-C4' energy: -161.919 flat angles C4'-P-C4' energy: -181.378 flat angles P-C4'-P energy: -120.907 tors. eta vs tors. theta energy: -173.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -2393.349673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.349673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.349673 (E_RNA) where: Base-Base interactions energy: -1617.177 where: short stacking energy: -695.570 Base-Backbone interact. energy: -1.580 local terms energy: -774.593054 where: bonds (distance) C4'-P energy: -149.834 bonds (distance) P-C4' energy: -163.709 flat angles C4'-P-C4' energy: -185.441 flat angles P-C4'-P energy: -121.369 tors. eta vs tors. theta energy: -154.240 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: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -2413.410743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.410743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.410743 (E_RNA) where: Base-Base interactions energy: -1616.782 where: short stacking energy: -691.844 Base-Backbone interact. energy: -1.489 local terms energy: -795.139750 where: bonds (distance) C4'-P energy: -168.862 bonds (distance) P-C4' energy: -164.153 flat angles C4'-P-C4' energy: -171.836 flat angles P-C4'-P energy: -110.680 tors. eta vs tors. theta energy: -179.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1993.338879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.338879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.338879 (E_RNA) where: Base-Base interactions energy: -1313.871 where: short stacking energy: -576.545 Base-Backbone interact. energy: -1.615 local terms energy: -677.852260 where: bonds (distance) C4'-P energy: -155.686 bonds (distance) P-C4' energy: -162.946 flat angles C4'-P-C4' energy: -135.133 flat angles P-C4'-P energy: -99.466 tors. eta vs tors. theta energy: -124.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -2074.037701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.037701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.037701 (E_RNA) where: Base-Base interactions energy: -1337.283 where: short stacking energy: -579.539 Base-Backbone interact. energy: 2.468 local terms energy: -739.222905 where: bonds (distance) C4'-P energy: -136.516 bonds (distance) P-C4' energy: -157.530 flat angles C4'-P-C4' energy: -181.239 flat angles P-C4'-P energy: -127.189 tors. eta vs tors. theta energy: -136.749 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: 9, replica: 3 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1748.080271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.080271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.080271 (E_RNA) where: Base-Base interactions energy: -1176.603 where: short stacking energy: -506.924 Base-Backbone interact. energy: 2.271 local terms energy: -573.748524 where: bonds (distance) C4'-P energy: -116.798 bonds (distance) P-C4' energy: -131.267 flat angles C4'-P-C4' energy: -148.572 flat angles P-C4'-P energy: -83.491 tors. eta vs tors. theta energy: -93.621 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: 29 Temperature: 1.350000 Total energy: -1380.429790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.429790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.429790 (E_RNA) where: Base-Base interactions energy: -848.225 where: short stacking energy: -425.500 Base-Backbone interact. energy: 5.714 local terms energy: -537.918651 where: bonds (distance) C4'-P energy: -133.528 bonds (distance) P-C4' energy: -141.899 flat angles C4'-P-C4' energy: -122.232 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -51.002 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: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -3128.989920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.989920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.989920 (E_RNA) where: Base-Base interactions energy: -2176.771 where: short stacking energy: -934.077 Base-Backbone interact. energy: 1.222 local terms energy: -953.440422 where: bonds (distance) C4'-P energy: -190.206 bonds (distance) P-C4' energy: -179.820 flat angles C4'-P-C4' energy: -196.470 flat angles P-C4'-P energy: -126.970 tors. eta vs tors. theta energy: -259.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2737.724710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.724710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.724710 (E_RNA) where: Base-Base interactions energy: -1873.080 where: short stacking energy: -817.513 Base-Backbone interact. energy: -2.733 local terms energy: -861.911569 where: bonds (distance) C4'-P energy: -163.459 bonds (distance) P-C4' energy: -189.523 flat angles C4'-P-C4' energy: -194.798 flat angles P-C4'-P energy: -117.221 tors. eta vs tors. theta energy: -196.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2730.387210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.387210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.387210 (E_RNA) where: Base-Base interactions energy: -1879.656 where: short stacking energy: -803.182 Base-Backbone interact. energy: -0.174 local terms energy: -850.557236 where: bonds (distance) C4'-P energy: -160.776 bonds (distance) P-C4' energy: -183.256 flat angles C4'-P-C4' energy: -192.348 flat angles P-C4'-P energy: -112.648 tors. eta vs tors. theta energy: -201.529 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: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2449.137134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.137134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.137134 (E_RNA) where: Base-Base interactions energy: -1662.454 where: short stacking energy: -710.036 Base-Backbone interact. energy: -2.737 local terms energy: -783.946844 where: bonds (distance) C4'-P energy: -160.599 bonds (distance) P-C4' energy: -181.675 flat angles C4'-P-C4' energy: -175.849 flat angles P-C4'-P energy: -108.679 tors. eta vs tors. theta energy: -157.145 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: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -2528.788364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.788364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.788364 (E_RNA) where: Base-Base interactions energy: -1739.284 where: short stacking energy: -733.361 Base-Backbone interact. energy: -0.068 local terms energy: -789.436497 where: bonds (distance) C4'-P energy: -150.223 bonds (distance) P-C4' energy: -159.463 flat angles C4'-P-C4' energy: -189.023 flat angles P-C4'-P energy: -115.295 tors. eta vs tors. theta energy: -175.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -2329.674391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.674391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.674391 (E_RNA) where: Base-Base interactions energy: -1582.683 where: short stacking energy: -663.645 Base-Backbone interact. energy: 3.266 local terms energy: -750.257396 where: bonds (distance) C4'-P energy: -151.067 bonds (distance) P-C4' energy: -152.765 flat angles C4'-P-C4' energy: -184.519 flat angles P-C4'-P energy: -94.739 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: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -2164.825876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.825876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.825876 (E_RNA) where: Base-Base interactions energy: -1457.296 where: short stacking energy: -626.322 Base-Backbone interact. energy: -1.193 local terms energy: -706.337082 where: bonds (distance) C4'-P energy: -136.308 bonds (distance) P-C4' energy: -151.750 flat angles C4'-P-C4' energy: -170.512 flat angles P-C4'-P energy: -102.066 tors. eta vs tors. theta energy: -145.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1893.742521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.742521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.742521 (E_RNA) where: Base-Base interactions energy: -1276.533 where: short stacking energy: -576.989 Base-Backbone interact. energy: 2.556 local terms energy: -619.765577 where: bonds (distance) C4'-P energy: -132.094 bonds (distance) P-C4' energy: -131.838 flat angles C4'-P-C4' energy: -155.224 flat angles P-C4'-P energy: -66.635 tors. eta vs tors. theta energy: -133.975 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: 3 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1657.956153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.956153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.956153 (E_RNA) where: Base-Base interactions energy: -1054.288 where: short stacking energy: -458.677 Base-Backbone interact. energy: -0.147 local terms energy: -603.521508 where: bonds (distance) C4'-P energy: -137.573 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -132.316 flat angles P-C4'-P energy: -92.286 tors. eta vs tors. theta energy: -93.636 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: 30 Temperature: 1.350000 Total energy: -1490.974924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.974924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.974924 (E_RNA) where: Base-Base interactions energy: -924.580 where: short stacking energy: -408.990 Base-Backbone interact. energy: 4.182 local terms energy: -570.576151 where: bonds (distance) C4'-P energy: -133.477 bonds (distance) P-C4' energy: -133.329 flat angles C4'-P-C4' energy: -162.429 flat angles P-C4'-P energy: -88.123 tors. eta vs tors. theta energy: -53.219 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: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -3156.915761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.915761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.915761 (E_RNA) where: Base-Base interactions energy: -2184.553 where: short stacking energy: -944.750 Base-Backbone interact. energy: -3.111 local terms energy: -969.251812 where: bonds (distance) C4'-P energy: -183.264 bonds (distance) P-C4' energy: -190.526 flat angles C4'-P-C4' energy: -207.403 flat angles P-C4'-P energy: -141.225 tors. eta vs tors. theta energy: -246.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2732.272911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.272911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.272911 (E_RNA) where: Base-Base interactions energy: -1830.694 where: short stacking energy: -816.316 Base-Backbone interact. energy: -3.463 local terms energy: -898.115917 where: bonds (distance) C4'-P energy: -187.289 bonds (distance) P-C4' energy: -173.748 flat angles C4'-P-C4' energy: -190.740 flat angles P-C4'-P energy: -132.089 tors. eta vs tors. theta energy: -214.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2702.467108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.467108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.467108 (E_RNA) where: Base-Base interactions energy: -1838.072 where: short stacking energy: -767.304 Base-Backbone interact. energy: 1.638 local terms energy: -866.032754 where: bonds (distance) C4'-P energy: -193.300 bonds (distance) P-C4' energy: -172.337 flat angles C4'-P-C4' energy: -177.877 flat angles P-C4'-P energy: -123.047 tors. eta vs tors. theta energy: -199.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2657.990851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.990851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.990851 (E_RNA) where: Base-Base interactions energy: -1800.589 where: short stacking energy: -776.120 Base-Backbone interact. energy: 4.228 local terms energy: -861.630431 where: bonds (distance) C4'-P energy: -154.353 bonds (distance) P-C4' energy: -185.781 flat angles C4'-P-C4' energy: -191.440 flat angles P-C4'-P energy: -136.718 tors. eta vs tors. theta energy: -193.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2496.569085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.569085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.569085 (E_RNA) where: Base-Base interactions energy: -1678.965 where: short stacking energy: -720.540 Base-Backbone interact. energy: 0.238 local terms energy: -817.841148 where: bonds (distance) C4'-P energy: -171.844 bonds (distance) P-C4' energy: -172.704 flat angles C4'-P-C4' energy: -174.550 flat angles P-C4'-P energy: -120.230 tors. eta vs tors. theta energy: -178.513 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: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -2290.975781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.975781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.975781 (E_RNA) where: Base-Base interactions energy: -1530.151 where: short stacking energy: -665.870 Base-Backbone interact. energy: 0.276 local terms energy: -761.101130 where: bonds (distance) C4'-P energy: -163.658 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -168.750 flat angles P-C4'-P energy: -108.849 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: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -2232.701575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.701575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.701575 (E_RNA) where: Base-Base interactions energy: -1478.422 where: short stacking energy: -616.240 Base-Backbone interact. energy: 3.669 local terms energy: -757.948447 where: bonds (distance) C4'-P energy: -161.577 bonds (distance) P-C4' energy: -147.763 flat angles C4'-P-C4' energy: -173.053 flat angles P-C4'-P energy: -117.448 tors. eta vs tors. theta energy: -158.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1949.028599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.028599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.028599 (E_RNA) where: Base-Base interactions energy: -1274.455 where: short stacking energy: -585.778 Base-Backbone interact. energy: -1.526 local terms energy: -673.048369 where: bonds (distance) C4'-P energy: -137.262 bonds (distance) P-C4' energy: -143.121 flat angles C4'-P-C4' energy: -178.812 flat angles P-C4'-P energy: -83.791 tors. eta vs tors. theta energy: -130.062 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: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1801.261738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.261738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.261738 (E_RNA) where: Base-Base interactions energy: -1171.447 where: short stacking energy: -497.059 Base-Backbone interact. energy: -2.761 local terms energy: -627.054426 where: bonds (distance) C4'-P energy: -139.645 bonds (distance) P-C4' energy: -157.557 flat angles C4'-P-C4' energy: -140.803 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -93.587 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: 31 Temperature: 1.350000 Total energy: -1464.152872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.152872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.152872 (E_RNA) where: Base-Base interactions energy: -912.438 where: short stacking energy: -383.891 Base-Backbone interact. energy: -2.837 local terms energy: -548.877455 where: bonds (distance) C4'-P energy: -134.245 bonds (distance) P-C4' energy: -164.462 flat angles C4'-P-C4' energy: -134.969 flat angles P-C4'-P energy: -66.345 tors. eta vs tors. theta energy: -48.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -3139.249282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.249282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.249282 (E_RNA) where: Base-Base interactions energy: -2150.158 where: short stacking energy: -920.490 Base-Backbone interact. energy: -0.811 local terms energy: -988.280348 where: bonds (distance) C4'-P energy: -180.080 bonds (distance) P-C4' energy: -194.942 flat angles C4'-P-C4' energy: -209.700 flat angles P-C4'-P energy: -160.309 tors. eta vs tors. theta energy: -243.249 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: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2791.161478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.161478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.161478 (E_RNA) where: Base-Base interactions energy: -1885.360 where: short stacking energy: -801.756 Base-Backbone interact. energy: -3.487 local terms energy: -902.314816 where: bonds (distance) C4'-P energy: -185.593 bonds (distance) P-C4' energy: -190.975 flat angles C4'-P-C4' energy: -203.774 flat angles P-C4'-P energy: -138.459 tors. eta vs tors. theta energy: -183.514 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: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2774.704531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.704531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.704531 (E_RNA) where: Base-Base interactions energy: -1859.878 where: short stacking energy: -822.466 Base-Backbone interact. energy: 1.633 local terms energy: -916.458820 where: bonds (distance) C4'-P energy: -167.824 bonds (distance) P-C4' energy: -182.605 flat angles C4'-P-C4' energy: -210.200 flat angles P-C4'-P energy: -143.025 tors. eta vs tors. theta energy: -212.806 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: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2683.902375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.902375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.902375 (E_RNA) where: Base-Base interactions energy: -1818.962 where: short stacking energy: -766.300 Base-Backbone interact. energy: -2.896 local terms energy: -862.043650 where: bonds (distance) C4'-P energy: -162.751 bonds (distance) P-C4' energy: -185.441 flat angles C4'-P-C4' energy: -200.323 flat angles P-C4'-P energy: -117.512 tors. eta vs tors. theta energy: -196.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2547.295730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.295730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.295730 (E_RNA) where: Base-Base interactions energy: -1750.379 where: short stacking energy: -737.395 Base-Backbone interact. energy: -2.673 local terms energy: -794.243182 where: bonds (distance) C4'-P energy: -150.505 bonds (distance) P-C4' energy: -159.584 flat angles C4'-P-C4' energy: -183.888 flat angles P-C4'-P energy: -107.621 tors. eta vs tors. theta energy: -192.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -2329.973600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.973600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.973600 (E_RNA) where: Base-Base interactions energy: -1560.265 where: short stacking energy: -682.135 Base-Backbone interact. energy: -2.629 local terms energy: -767.079647 where: bonds (distance) C4'-P energy: -159.647 bonds (distance) P-C4' energy: -150.423 flat angles C4'-P-C4' energy: -178.050 flat angles P-C4'-P energy: -117.765 tors. eta vs tors. theta energy: -161.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -2254.194454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.194454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.194454 (E_RNA) where: Base-Base interactions energy: -1519.645 where: short stacking energy: -620.380 Base-Backbone interact. energy: -1.284 local terms energy: -733.265919 where: bonds (distance) C4'-P energy: -166.653 bonds (distance) P-C4' energy: -169.962 flat angles C4'-P-C4' energy: -143.066 flat angles P-C4'-P energy: -105.604 tors. eta vs tors. theta energy: -147.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1814.951510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.951510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.951510 (E_RNA) where: Base-Base interactions energy: -1148.058 where: short stacking energy: -494.227 Base-Backbone interact. energy: 4.363 local terms energy: -671.256030 where: bonds (distance) C4'-P energy: -154.798 bonds (distance) P-C4' energy: -142.841 flat angles C4'-P-C4' energy: -162.402 flat angles P-C4'-P energy: -113.668 tors. eta vs tors. theta energy: -97.547 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: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1937.990893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.990893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.990893 (E_RNA) where: Base-Base interactions energy: -1282.913 where: short stacking energy: -540.524 Base-Backbone interact. energy: 2.865 local terms energy: -657.942193 where: bonds (distance) C4'-P energy: -151.687 bonds (distance) P-C4' energy: -147.591 flat angles C4'-P-C4' energy: -154.318 flat angles P-C4'-P energy: -89.207 tors. eta vs tors. theta energy: -115.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -1479.660773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.660773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.660773 (E_RNA) where: Base-Base interactions energy: -914.903 where: short stacking energy: -438.251 Base-Backbone interact. energy: 5.620 local terms energy: -570.376986 where: bonds (distance) C4'-P energy: -163.867 bonds (distance) P-C4' energy: -125.260 flat angles C4'-P-C4' energy: -137.900 flat angles P-C4'-P energy: -83.850 tors. eta vs tors. theta energy: -59.500 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: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -3120.915737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.915737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.915737 (E_RNA) where: Base-Base interactions energy: -2184.157 where: short stacking energy: -920.198 Base-Backbone interact. energy: -0.934 local terms energy: -935.824507 where: bonds (distance) C4'-P energy: -165.437 bonds (distance) P-C4' energy: -179.811 flat angles C4'-P-C4' energy: -212.123 flat angles P-C4'-P energy: -119.716 tors. eta vs tors. theta energy: -258.738 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: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2795.434495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.434495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.434495 (E_RNA) where: Base-Base interactions energy: -1899.288 where: short stacking energy: -792.627 Base-Backbone interact. energy: -4.130 local terms energy: -892.016294 where: bonds (distance) C4'-P energy: -185.492 bonds (distance) P-C4' energy: -180.577 flat angles C4'-P-C4' energy: -203.728 flat angles P-C4'-P energy: -128.753 tors. eta vs tors. theta energy: -193.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2806.604717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.604717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.604717 (E_RNA) where: Base-Base interactions energy: -1894.403 where: short stacking energy: -822.225 Base-Backbone interact. energy: 0.561 local terms energy: -912.762911 where: bonds (distance) C4'-P energy: -194.262 bonds (distance) P-C4' energy: -173.425 flat angles C4'-P-C4' energy: -204.883 flat angles P-C4'-P energy: -132.309 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: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2701.479904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.479904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.479904 (E_RNA) where: Base-Base interactions energy: -1843.066 where: short stacking energy: -807.797 Base-Backbone interact. energy: -0.262 local terms energy: -858.152619 where: bonds (distance) C4'-P energy: -157.639 bonds (distance) P-C4' energy: -190.312 flat angles C4'-P-C4' energy: -181.041 flat angles P-C4'-P energy: -104.056 tors. eta vs tors. theta energy: -225.104 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: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2507.321227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.321227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.321227 (E_RNA) where: Base-Base interactions energy: -1682.954 where: short stacking energy: -743.106 Base-Backbone interact. energy: -3.172 local terms energy: -821.195327 where: bonds (distance) C4'-P energy: -155.636 bonds (distance) P-C4' energy: -195.177 flat angles C4'-P-C4' energy: -181.192 flat angles P-C4'-P energy: -99.187 tors. eta vs tors. theta energy: -190.004 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: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -2366.075644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.075644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.075644 (E_RNA) where: Base-Base interactions energy: -1603.598 where: short stacking energy: -686.115 Base-Backbone interact. energy: -2.402 local terms energy: -760.075661 where: bonds (distance) C4'-P energy: -156.531 bonds (distance) P-C4' energy: -177.790 flat angles C4'-P-C4' energy: -167.087 flat angles P-C4'-P energy: -93.667 tors. eta vs tors. theta energy: -165.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -2227.372167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.372167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.372167 (E_RNA) where: Base-Base interactions energy: -1524.210 where: short stacking energy: -640.842 Base-Backbone interact. energy: -2.799 local terms energy: -700.363078 where: bonds (distance) C4'-P energy: -145.668 bonds (distance) P-C4' energy: -146.946 flat angles C4'-P-C4' energy: -161.403 flat angles P-C4'-P energy: -89.476 tors. eta vs tors. theta energy: -156.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -2061.538551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.538551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.538551 (E_RNA) where: Base-Base interactions energy: -1346.585 where: short stacking energy: -573.279 Base-Backbone interact. energy: 5.098 local terms energy: -720.052013 where: bonds (distance) C4'-P energy: -155.335 bonds (distance) P-C4' energy: -157.628 flat angles C4'-P-C4' energy: -179.454 flat angles P-C4'-P energy: -115.089 tors. eta vs tors. theta energy: -112.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1801.900037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.900037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.900037 (E_RNA) where: Base-Base interactions energy: -1127.772 where: short stacking energy: -496.167 Base-Backbone interact. energy: -1.169 local terms energy: -672.958905 where: bonds (distance) C4'-P energy: -166.683 bonds (distance) P-C4' energy: -134.308 flat angles C4'-P-C4' energy: -170.867 flat angles P-C4'-P energy: -99.556 tors. eta vs tors. theta energy: -101.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1547.038049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.038049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.038049 (E_RNA) where: Base-Base interactions energy: -990.523 where: short stacking energy: -429.472 Base-Backbone interact. energy: 3.518 local terms energy: -560.032584 where: bonds (distance) C4'-P energy: -135.265 bonds (distance) P-C4' energy: -136.720 flat angles C4'-P-C4' energy: -144.901 flat angles P-C4'-P energy: -78.678 tors. eta vs tors. theta energy: -64.469 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: 1, replica: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -3162.986651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.986651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.986651 (E_RNA) where: Base-Base interactions energy: -2183.207 where: short stacking energy: -943.720 Base-Backbone interact. energy: -0.142 local terms energy: -979.637041 where: bonds (distance) C4'-P energy: -187.765 bonds (distance) P-C4' energy: -195.511 flat angles C4'-P-C4' energy: -198.448 flat angles P-C4'-P energy: -149.331 tors. eta vs tors. theta energy: -248.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2833.564989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.564989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.564989 (E_RNA) where: Base-Base interactions energy: -1951.325 where: short stacking energy: -841.519 Base-Backbone interact. energy: 3.558 local terms energy: -885.797141 where: bonds (distance) C4'-P energy: -167.806 bonds (distance) P-C4' energy: -168.296 flat angles C4'-P-C4' energy: -219.845 flat angles P-C4'-P energy: -127.173 tors. eta vs tors. theta energy: -202.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2781.538083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.538083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.538083 (E_RNA) where: Base-Base interactions energy: -1916.088 where: short stacking energy: -811.997 Base-Backbone interact. energy: -0.817 local terms energy: -864.633099 where: bonds (distance) C4'-P energy: -154.291 bonds (distance) P-C4' energy: -179.170 flat angles C4'-P-C4' energy: -185.413 flat angles P-C4'-P energy: -136.358 tors. eta vs tors. theta energy: -209.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2775.404879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.404879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.404879 (E_RNA) where: Base-Base interactions energy: -1925.585 where: short stacking energy: -782.566 Base-Backbone interact. energy: -0.246 local terms energy: -849.573454 where: bonds (distance) C4'-P energy: -163.229 bonds (distance) P-C4' energy: -169.101 flat angles C4'-P-C4' energy: -192.272 flat angles P-C4'-P energy: -113.605 tors. eta vs tors. theta energy: -211.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2493.462147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.462147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.462147 (E_RNA) where: Base-Base interactions energy: -1691.144 where: short stacking energy: -726.620 Base-Backbone interact. energy: -3.758 local terms energy: -798.560382 where: bonds (distance) C4'-P energy: -150.828 bonds (distance) P-C4' energy: -176.875 flat angles C4'-P-C4' energy: -171.916 flat angles P-C4'-P energy: -117.755 tors. eta vs tors. theta energy: -181.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -2392.725747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.725747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.725747 (E_RNA) where: Base-Base interactions energy: -1590.078 where: short stacking energy: -691.417 Base-Backbone interact. energy: -0.242 local terms energy: -802.405302 where: bonds (distance) C4'-P energy: -136.328 bonds (distance) P-C4' energy: -179.594 flat angles C4'-P-C4' energy: -188.201 flat angles P-C4'-P energy: -111.843 tors. eta vs tors. theta energy: -186.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -2180.995842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.995842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.995842 (E_RNA) where: Base-Base interactions energy: -1459.286 where: short stacking energy: -629.833 Base-Backbone interact. energy: -2.805 local terms energy: -718.904188 where: bonds (distance) C4'-P energy: -131.882 bonds (distance) P-C4' energy: -163.191 flat angles C4'-P-C4' energy: -188.616 flat angles P-C4'-P energy: -100.628 tors. eta vs tors. theta energy: -134.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1998.253372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.253372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.253372 (E_RNA) where: Base-Base interactions energy: -1347.976 where: short stacking energy: -583.256 Base-Backbone interact. energy: 3.853 local terms energy: -654.130802 where: bonds (distance) C4'-P energy: -138.549 bonds (distance) P-C4' energy: -151.446 flat angles C4'-P-C4' energy: -150.857 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: -128.559 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: 34 Temperature: 1.300000 Total energy: -1627.242777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.242777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.242777 (E_RNA) where: Base-Base interactions energy: -1029.745 where: short stacking energy: -456.916 Base-Backbone interact. energy: 3.707 local terms energy: -601.204281 where: bonds (distance) C4'-P energy: -142.092 bonds (distance) P-C4' energy: -150.461 flat angles C4'-P-C4' energy: -135.304 flat angles P-C4'-P energy: -90.658 tors. eta vs tors. theta energy: -82.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1653.457310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.457310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.457310 (E_RNA) where: Base-Base interactions energy: -1037.056 where: short stacking energy: -427.495 Base-Backbone interact. energy: 0.884 local terms energy: -617.285787 where: bonds (distance) C4'-P energy: -148.097 bonds (distance) P-C4' energy: -124.545 flat angles C4'-P-C4' energy: -154.371 flat angles P-C4'-P energy: -111.493 tors. eta vs tors. theta energy: -78.780 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: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -3130.151416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.151416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.151416 (E_RNA) where: Base-Base interactions energy: -2172.889 where: short stacking energy: -910.941 Base-Backbone interact. energy: -0.619 local terms energy: -956.644016 where: bonds (distance) C4'-P energy: -180.999 bonds (distance) P-C4' energy: -195.208 flat angles C4'-P-C4' energy: -202.257 flat angles P-C4'-P energy: -139.609 tors. eta vs tors. theta energy: -238.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2836.826752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.826752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.826752 (E_RNA) where: Base-Base interactions energy: -1944.168 where: short stacking energy: -832.648 Base-Backbone interact. energy: -0.845 local terms energy: -891.813466 where: bonds (distance) C4'-P energy: -182.427 bonds (distance) P-C4' energy: -180.986 flat angles C4'-P-C4' energy: -190.497 flat angles P-C4'-P energy: -125.553 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: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2800.314241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.314241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.314241 (E_RNA) where: Base-Base interactions energy: -1934.455 where: short stacking energy: -847.204 Base-Backbone interact. energy: -0.085 local terms energy: -865.774948 where: bonds (distance) C4'-P energy: -162.131 bonds (distance) P-C4' energy: -169.371 flat angles C4'-P-C4' energy: -186.859 flat angles P-C4'-P energy: -125.925 tors. eta vs tors. theta energy: -221.488 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: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2829.342101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.342101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.342101 (E_RNA) where: Base-Base interactions energy: -1955.009 where: short stacking energy: -825.742 Base-Backbone interact. energy: -0.596 local terms energy: -873.736480 where: bonds (distance) C4'-P energy: -173.782 bonds (distance) P-C4' energy: -176.975 flat angles C4'-P-C4' energy: -183.438 flat angles P-C4'-P energy: -120.236 tors. eta vs tors. theta energy: -219.306 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: 35 Temperature: 1.100000 Total energy: -2522.472450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.472450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.472450 (E_RNA) where: Base-Base interactions energy: -1724.604 where: short stacking energy: -728.097 Base-Backbone interact. energy: 3.629 local terms energy: -801.497172 where: bonds (distance) C4'-P energy: -145.650 bonds (distance) P-C4' energy: -181.645 flat angles C4'-P-C4' energy: -176.497 flat angles P-C4'-P energy: -121.274 tors. eta vs tors. theta energy: -176.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2413.436771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.436771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.436771 (E_RNA) where: Base-Base interactions energy: -1605.851 where: short stacking energy: -710.838 Base-Backbone interact. energy: 1.455 local terms energy: -809.040365 where: bonds (distance) C4'-P energy: -168.123 bonds (distance) P-C4' energy: -161.670 flat angles C4'-P-C4' energy: -191.537 flat angles P-C4'-P energy: -114.008 tors. eta vs tors. theta energy: -173.703 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: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -2223.831122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.831122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.831122 (E_RNA) where: Base-Base interactions energy: -1477.004 where: short stacking energy: -640.661 Base-Backbone interact. energy: -2.309 local terms energy: -744.518433 where: bonds (distance) C4'-P energy: -163.789 bonds (distance) P-C4' energy: -150.008 flat angles C4'-P-C4' energy: -177.321 flat angles P-C4'-P energy: -96.217 tors. eta vs tors. theta energy: -157.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -2013.123776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.123776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.123776 (E_RNA) where: Base-Base interactions energy: -1305.682 where: short stacking energy: -574.296 Base-Backbone interact. energy: 1.100 local terms energy: -708.541749 where: bonds (distance) C4'-P energy: -137.151 bonds (distance) P-C4' energy: -170.875 flat angles C4'-P-C4' energy: -176.223 flat angles P-C4'-P energy: -82.223 tors. eta vs tors. theta energy: -142.070 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: 4 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1616.613546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.613546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.613546 (E_RNA) where: Base-Base interactions energy: -1043.477 where: short stacking energy: -507.261 Base-Backbone interact. energy: -1.605 local terms energy: -571.531255 where: bonds (distance) C4'-P energy: -135.154 bonds (distance) P-C4' energy: -120.195 flat angles C4'-P-C4' energy: -151.178 flat angles P-C4'-P energy: -80.492 tors. eta vs tors. theta energy: -84.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1864.555013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.555013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.555013 (E_RNA) where: Base-Base interactions energy: -1218.339 where: short stacking energy: -522.689 Base-Backbone interact. energy: -1.923 local terms energy: -644.293063 where: bonds (distance) C4'-P energy: -145.051 bonds (distance) P-C4' energy: -162.866 flat angles C4'-P-C4' energy: -134.321 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -114.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -3153.546452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.546452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.546452 (E_RNA) where: Base-Base interactions energy: -2195.700 where: short stacking energy: -934.559 Base-Backbone interact. energy: -3.397 local terms energy: -954.448664 where: bonds (distance) C4'-P energy: -200.311 bonds (distance) P-C4' energy: -181.783 flat angles C4'-P-C4' energy: -199.851 flat angles P-C4'-P energy: -124.112 tors. eta vs tors. theta energy: -248.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2902.696689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.696689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.696689 (E_RNA) where: Base-Base interactions energy: -2008.485 where: short stacking energy: -844.556 Base-Backbone interact. energy: -3.500 local terms energy: -890.711847 where: bonds (distance) C4'-P energy: -178.249 bonds (distance) P-C4' energy: -185.027 flat angles C4'-P-C4' energy: -191.516 flat angles P-C4'-P energy: -121.213 tors. eta vs tors. theta energy: -214.707 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: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2987.612228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.612228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.612228 (E_RNA) where: Base-Base interactions energy: -2076.408 where: short stacking energy: -866.155 Base-Backbone interact. energy: -1.140 local terms energy: -910.064744 where: bonds (distance) C4'-P energy: -165.793 bonds (distance) P-C4' energy: -182.037 flat angles C4'-P-C4' energy: -191.572 flat angles P-C4'-P energy: -136.896 tors. eta vs tors. theta energy: -233.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2710.153947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.153947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.153947 (E_RNA) where: Base-Base interactions energy: -1868.232 where: short stacking energy: -770.955 Base-Backbone interact. energy: -0.596 local terms energy: -841.326841 where: bonds (distance) C4'-P energy: -172.383 bonds (distance) P-C4' energy: -172.749 flat angles C4'-P-C4' energy: -170.449 flat angles P-C4'-P energy: -134.030 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: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2502.398624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.398624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.398624 (E_RNA) where: Base-Base interactions energy: -1693.718 where: short stacking energy: -726.092 Base-Backbone interact. energy: -2.948 local terms energy: -805.732527 where: bonds (distance) C4'-P energy: -149.311 bonds (distance) P-C4' energy: -172.232 flat angles C4'-P-C4' energy: -180.831 flat angles P-C4'-P energy: -125.264 tors. eta vs tors. theta energy: -178.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -2384.906801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.906801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.906801 (E_RNA) where: Base-Base interactions energy: -1593.992 where: short stacking energy: -667.368 Base-Backbone interact. energy: -2.704 local terms energy: -788.210741 where: bonds (distance) C4'-P energy: -167.177 bonds (distance) P-C4' energy: -146.875 flat angles C4'-P-C4' energy: -184.507 flat angles P-C4'-P energy: -117.708 tors. eta vs tors. theta energy: -171.943 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: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -2258.365826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.365826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.365826 (E_RNA) where: Base-Base interactions energy: -1515.254 where: short stacking energy: -630.423 Base-Backbone interact. energy: 7.032 local terms energy: -750.143392 where: bonds (distance) C4'-P energy: -153.120 bonds (distance) P-C4' energy: -151.857 flat angles C4'-P-C4' energy: -171.738 flat angles P-C4'-P energy: -126.829 tors. eta vs tors. theta energy: -146.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -2079.111396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.111396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.111396 (E_RNA) where: Base-Base interactions energy: -1367.878 where: short stacking energy: -595.176 Base-Backbone interact. energy: 0.911 local terms energy: -712.144182 where: bonds (distance) C4'-P energy: -167.339 bonds (distance) P-C4' energy: -142.806 flat angles C4'-P-C4' energy: -171.598 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -132.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1905.232561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.232561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.232561 (E_RNA) where: Base-Base interactions energy: -1220.908 where: short stacking energy: -541.762 Base-Backbone interact. energy: -1.685 local terms energy: -682.639555 where: bonds (distance) C4'-P energy: -149.915 bonds (distance) P-C4' energy: -138.330 flat angles C4'-P-C4' energy: -153.890 flat angles P-C4'-P energy: -98.171 tors. eta vs tors. theta energy: -142.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1560.100494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.100494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.100494 (E_RNA) where: Base-Base interactions energy: -989.859 where: short stacking energy: -436.412 Base-Backbone interact. energy: -3.081 local terms energy: -567.160389 where: bonds (distance) C4'-P energy: -137.740 bonds (distance) P-C4' energy: -150.221 flat angles C4'-P-C4' energy: -126.344 flat angles P-C4'-P energy: -75.315 tors. eta vs tors. theta energy: -77.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -3189.073043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.073043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.073043 (E_RNA) where: Base-Base interactions energy: -2234.555 where: short stacking energy: -961.210 Base-Backbone interact. energy: 1.350 local terms energy: -955.867507 where: bonds (distance) C4'-P energy: -172.634 bonds (distance) P-C4' energy: -190.121 flat angles C4'-P-C4' energy: -203.252 flat angles P-C4'-P energy: -129.222 tors. eta vs tors. theta energy: -260.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2914.376936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.376936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.376936 (E_RNA) where: Base-Base interactions energy: -2012.060 where: short stacking energy: -866.629 Base-Backbone interact. energy: -2.416 local terms energy: -899.901218 where: bonds (distance) C4'-P energy: -152.534 bonds (distance) P-C4' energy: -182.888 flat angles C4'-P-C4' energy: -202.909 flat angles P-C4'-P energy: -130.508 tors. eta vs tors. theta energy: -231.062 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: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2930.167697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.167697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.167697 (E_RNA) where: Base-Base interactions energy: -2017.442 where: short stacking energy: -845.076 Base-Backbone interact. energy: 1.591 local terms energy: -914.316647 where: bonds (distance) C4'-P energy: -171.629 bonds (distance) P-C4' energy: -183.382 flat angles C4'-P-C4' energy: -194.082 flat angles P-C4'-P energy: -133.738 tors. eta vs tors. theta energy: -231.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2617.676826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.676826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.676826 (E_RNA) where: Base-Base interactions energy: -1777.979 where: short stacking energy: -755.078 Base-Backbone interact. energy: -1.713 local terms energy: -837.985069 where: bonds (distance) C4'-P energy: -178.047 bonds (distance) P-C4' energy: -155.162 flat angles C4'-P-C4' energy: -190.858 flat angles P-C4'-P energy: -114.024 tors. eta vs tors. theta energy: -199.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2671.942836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.942836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.942836 (E_RNA) where: Base-Base interactions energy: -1841.701 where: short stacking energy: -728.932 Base-Backbone interact. energy: 3.782 local terms energy: -834.023990 where: bonds (distance) C4'-P energy: -149.567 bonds (distance) P-C4' energy: -179.847 flat angles C4'-P-C4' energy: -195.890 flat angles P-C4'-P energy: -119.849 tors. eta vs tors. theta energy: -188.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -2406.786632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.786632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.786632 (E_RNA) where: Base-Base interactions energy: -1620.793 where: short stacking energy: -713.720 Base-Backbone interact. energy: 1.309 local terms energy: -787.301821 where: bonds (distance) C4'-P energy: -155.326 bonds (distance) P-C4' energy: -176.288 flat angles C4'-P-C4' energy: -178.757 flat angles P-C4'-P energy: -100.731 tors. eta vs tors. theta energy: -176.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -2281.895672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.895672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.895672 (E_RNA) where: Base-Base interactions energy: -1492.606 where: short stacking energy: -653.011 Base-Backbone interact. energy: -0.417 local terms energy: -788.872559 where: bonds (distance) C4'-P energy: -164.143 bonds (distance) P-C4' energy: -164.853 flat angles C4'-P-C4' energy: -175.117 flat angles P-C4'-P energy: -115.964 tors. eta vs tors. theta energy: -168.796 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: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -2091.387690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.387690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.387690 (E_RNA) where: Base-Base interactions energy: -1350.378 where: short stacking energy: -581.728 Base-Backbone interact. energy: -0.487 local terms energy: -740.522121 where: bonds (distance) C4'-P energy: -157.105 bonds (distance) P-C4' energy: -159.857 flat angles C4'-P-C4' energy: -175.859 flat angles P-C4'-P energy: -114.223 tors. eta vs tors. theta energy: -133.477 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: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1987.354350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.354350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.354350 (E_RNA) where: Base-Base interactions energy: -1311.756 where: short stacking energy: -560.133 Base-Backbone interact. energy: 2.765 local terms energy: -678.363665 where: bonds (distance) C4'-P energy: -135.749 bonds (distance) P-C4' energy: -142.702 flat angles C4'-P-C4' energy: -163.221 flat angles P-C4'-P energy: -105.748 tors. eta vs tors. theta energy: -130.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1452.286252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.286252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.286252 (E_RNA) where: Base-Base interactions energy: -899.386 where: short stacking energy: -396.876 Base-Backbone interact. energy: -2.802 local terms energy: -550.098076 where: bonds (distance) C4'-P energy: -131.496 bonds (distance) P-C4' energy: -162.445 flat angles C4'-P-C4' energy: -147.761 flat angles P-C4'-P energy: -64.073 tors. eta vs tors. theta energy: -44.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -3210.667465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.667465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.667465 (E_RNA) where: Base-Base interactions energy: -2206.326 where: short stacking energy: -945.696 Base-Backbone interact. energy: 1.425 local terms energy: -1005.766643 where: bonds (distance) C4'-P energy: -185.812 bonds (distance) P-C4' energy: -188.567 flat angles C4'-P-C4' energy: -209.936 flat angles P-C4'-P energy: -147.363 tors. eta vs tors. theta energy: -274.089 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: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2941.326086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.326086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.326086 (E_RNA) where: Base-Base interactions energy: -2011.874 where: short stacking energy: -869.797 Base-Backbone interact. energy: -3.654 local terms energy: -925.798845 where: bonds (distance) C4'-P energy: -183.189 bonds (distance) P-C4' energy: -179.797 flat angles C4'-P-C4' energy: -204.338 flat angles P-C4'-P energy: -131.205 tors. eta vs tors. theta energy: -227.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2998.589489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.589489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.589489 (E_RNA) where: Base-Base interactions energy: -2090.775 where: short stacking energy: -863.092 Base-Backbone interact. energy: 6.174 local terms energy: -913.988892 where: bonds (distance) C4'-P energy: -186.256 bonds (distance) P-C4' energy: -166.555 flat angles C4'-P-C4' energy: -202.174 flat angles P-C4'-P energy: -123.017 tors. eta vs tors. theta energy: -235.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2645.349180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.349180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.349180 (E_RNA) where: Base-Base interactions energy: -1805.197 where: short stacking energy: -784.709 Base-Backbone interact. energy: 2.436 local terms energy: -842.587498 where: bonds (distance) C4'-P energy: -167.403 bonds (distance) P-C4' energy: -169.018 flat angles C4'-P-C4' energy: -194.541 flat angles P-C4'-P energy: -108.685 tors. eta vs tors. theta energy: -202.941 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: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2690.270659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.270659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.270659 (E_RNA) where: Base-Base interactions energy: -1881.711 where: short stacking energy: -752.778 Base-Backbone interact. energy: -2.612 local terms energy: -805.947654 where: bonds (distance) C4'-P energy: -164.692 bonds (distance) P-C4' energy: -161.453 flat angles C4'-P-C4' energy: -176.518 flat angles P-C4'-P energy: -105.399 tors. eta vs tors. theta energy: -197.885 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: 9 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -2437.539006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.539006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.539006 (E_RNA) where: Base-Base interactions energy: -1628.503 where: short stacking energy: -705.132 Base-Backbone interact. energy: 2.130 local terms energy: -811.165662 where: bonds (distance) C4'-P energy: -155.710 bonds (distance) P-C4' energy: -162.943 flat angles C4'-P-C4' energy: -171.429 flat angles P-C4'-P energy: -130.369 tors. eta vs tors. theta energy: -190.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -2312.378763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.378763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.378763 (E_RNA) where: Base-Base interactions energy: -1561.724 where: short stacking energy: -649.622 Base-Backbone interact. energy: -0.689 local terms energy: -749.966327 where: bonds (distance) C4'-P energy: -161.892 bonds (distance) P-C4' energy: -156.674 flat angles C4'-P-C4' energy: -171.884 flat angles P-C4'-P energy: -108.074 tors. eta vs tors. theta energy: -151.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -2147.474522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.474522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.474522 (E_RNA) where: Base-Base interactions energy: -1436.718 where: short stacking energy: -620.076 Base-Backbone interact. energy: -1.348 local terms energy: -709.408977 where: bonds (distance) C4'-P energy: -151.094 bonds (distance) P-C4' energy: -147.988 flat angles C4'-P-C4' energy: -168.037 flat angles P-C4'-P energy: -108.994 tors. eta vs tors. theta energy: -133.295 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: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -2017.100348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.100348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.100348 (E_RNA) where: Base-Base interactions energy: -1347.052 where: short stacking energy: -571.997 Base-Backbone interact. energy: -0.105 local terms energy: -669.943426 where: bonds (distance) C4'-P energy: -144.271 bonds (distance) P-C4' energy: -143.875 flat angles C4'-P-C4' energy: -159.486 flat angles P-C4'-P energy: -91.068 tors. eta vs tors. theta energy: -131.244 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: 4 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1394.743692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.743692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.743692 (E_RNA) where: Base-Base interactions energy: -857.920 where: short stacking energy: -373.917 Base-Backbone interact. energy: 5.556 local terms energy: -542.379753 where: bonds (distance) C4'-P energy: -149.986 bonds (distance) P-C4' energy: -138.854 flat angles C4'-P-C4' energy: -121.229 flat angles P-C4'-P energy: -81.072 tors. eta vs tors. theta energy: -51.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -3206.029799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.029799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.029799 (E_RNA) where: Base-Base interactions energy: -2230.687 where: short stacking energy: -928.436 Base-Backbone interact. energy: -4.151 local terms energy: -971.191216 where: bonds (distance) C4'-P energy: -194.162 bonds (distance) P-C4' energy: -200.473 flat angles C4'-P-C4' energy: -202.887 flat angles P-C4'-P energy: -128.948 tors. eta vs tors. theta energy: -244.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -3098.734620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.734620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.734620 (E_RNA) where: Base-Base interactions energy: -2182.761 where: short stacking energy: -927.331 Base-Backbone interact. energy: -0.468 local terms energy: -915.505175 where: bonds (distance) C4'-P energy: -164.260 bonds (distance) P-C4' energy: -184.304 flat angles C4'-P-C4' energy: -198.963 flat angles P-C4'-P energy: -123.799 tors. eta vs tors. theta energy: -244.179 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2845.529971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.529971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.529971 (E_RNA) where: Base-Base interactions energy: -1966.902 where: short stacking energy: -832.654 Base-Backbone interact. energy: 0.600 local terms energy: -879.227962 where: bonds (distance) C4'-P energy: -157.676 bonds (distance) P-C4' energy: -177.524 flat angles C4'-P-C4' energy: -186.804 flat angles P-C4'-P energy: -143.278 tors. eta vs tors. theta energy: -213.946 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: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2872.487672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.487672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.487672 (E_RNA) where: Base-Base interactions energy: -2001.605 where: short stacking energy: -829.036 Base-Backbone interact. energy: 1.106 local terms energy: -871.988570 where: bonds (distance) C4'-P energy: -167.142 bonds (distance) P-C4' energy: -183.940 flat angles C4'-P-C4' energy: -194.394 flat angles P-C4'-P energy: -103.921 tors. eta vs tors. theta energy: -222.592 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: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2587.154336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.154336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.154336 (E_RNA) where: Base-Base interactions energy: -1753.097 where: short stacking energy: -721.947 Base-Backbone interact. energy: -5.518 local terms energy: -828.539247 where: bonds (distance) C4'-P energy: -145.970 bonds (distance) P-C4' energy: -169.990 flat angles C4'-P-C4' energy: -193.874 flat angles P-C4'-P energy: -124.399 tors. eta vs tors. theta energy: -194.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -2452.219249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.219249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.219249 (E_RNA) where: Base-Base interactions energy: -1666.181 where: short stacking energy: -697.428 Base-Backbone interact. energy: -0.605 local terms energy: -785.433763 where: bonds (distance) C4'-P energy: -157.346 bonds (distance) P-C4' energy: -158.656 flat angles C4'-P-C4' energy: -176.786 flat angles P-C4'-P energy: -105.390 tors. eta vs tors. theta energy: -187.255 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: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -2358.960728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.960728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.960728 (E_RNA) where: Base-Base interactions energy: -1563.444 where: short stacking energy: -644.236 Base-Backbone interact. energy: 7.378 local terms energy: -802.894668 where: bonds (distance) C4'-P energy: -160.529 bonds (distance) P-C4' energy: -176.726 flat angles C4'-P-C4' energy: -176.224 flat angles P-C4'-P energy: -124.812 tors. eta vs tors. theta energy: -164.604 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: 3 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -2134.973315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.973315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.973315 (E_RNA) where: Base-Base interactions energy: -1452.878 where: short stacking energy: -608.546 Base-Backbone interact. energy: -0.291 local terms energy: -681.804368 where: bonds (distance) C4'-P energy: -142.758 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -173.061 flat angles P-C4'-P energy: -72.671 tors. eta vs tors. theta energy: -136.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -2103.995744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.995744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.995744 (E_RNA) where: Base-Base interactions energy: -1432.788 where: short stacking energy: -597.031 Base-Backbone interact. energy: -3.630 local terms energy: -667.578058 where: bonds (distance) C4'-P energy: -153.494 bonds (distance) P-C4' energy: -148.699 flat angles C4'-P-C4' energy: -164.020 flat angles P-C4'-P energy: -72.106 tors. eta vs tors. theta energy: -129.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1399.723584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.723584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.723584 (E_RNA) where: Base-Base interactions energy: -832.932 where: short stacking energy: -397.510 Base-Backbone interact. energy: 3.310 local terms energy: -570.102237 where: bonds (distance) C4'-P energy: -151.635 bonds (distance) P-C4' energy: -146.991 flat angles C4'-P-C4' energy: -144.099 flat angles P-C4'-P energy: -81.237 tors. eta vs tors. theta energy: -46.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -3214.221052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.221052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.221052 (E_RNA) where: Base-Base interactions energy: -2269.073 where: short stacking energy: -934.646 Base-Backbone interact. energy: 3.871 local terms energy: -949.019569 where: bonds (distance) C4'-P energy: -175.111 bonds (distance) P-C4' energy: -199.176 flat angles C4'-P-C4' energy: -190.061 flat angles P-C4'-P energy: -143.823 tors. eta vs tors. theta energy: -240.848 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: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -3078.283895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.283895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.283895 (E_RNA) where: Base-Base interactions energy: -2113.100 where: short stacking energy: -882.683 Base-Backbone interact. energy: -0.345 local terms energy: -964.838419 where: bonds (distance) C4'-P energy: -183.464 bonds (distance) P-C4' energy: -185.219 flat angles C4'-P-C4' energy: -209.844 flat angles P-C4'-P energy: -137.995 tors. eta vs tors. theta energy: -248.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2880.537112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.537112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.537112 (E_RNA) where: Base-Base interactions energy: -1991.544 where: short stacking energy: -851.079 Base-Backbone interact. energy: -1.438 local terms energy: -887.554767 where: bonds (distance) C4'-P energy: -172.821 bonds (distance) P-C4' energy: -176.899 flat angles C4'-P-C4' energy: -175.480 flat angles P-C4'-P energy: -128.795 tors. eta vs tors. theta energy: -233.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2803.474459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.474459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.474459 (E_RNA) where: Base-Base interactions energy: -1950.447 where: short stacking energy: -821.462 Base-Backbone interact. energy: -1.630 local terms energy: -851.397545 where: bonds (distance) C4'-P energy: -154.516 bonds (distance) P-C4' energy: -173.595 flat angles C4'-P-C4' energy: -190.221 flat angles P-C4'-P energy: -122.623 tors. eta vs tors. theta energy: -210.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2579.270299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.270299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.270299 (E_RNA) where: Base-Base interactions energy: -1769.052 where: short stacking energy: -738.791 Base-Backbone interact. energy: 0.990 local terms energy: -811.208288 where: bonds (distance) C4'-P energy: -169.696 bonds (distance) P-C4' energy: -165.585 flat angles C4'-P-C4' energy: -185.652 flat angles P-C4'-P energy: -105.738 tors. eta vs tors. theta energy: -184.538 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: 6, replica: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -2460.748653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.748653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.748653 (E_RNA) where: Base-Base interactions energy: -1678.463 where: short stacking energy: -701.070 Base-Backbone interact. energy: -1.168 local terms energy: -781.117252 where: bonds (distance) C4'-P energy: -155.077 bonds (distance) P-C4' energy: -171.182 flat angles C4'-P-C4' energy: -177.035 flat angles P-C4'-P energy: -120.785 tors. eta vs tors. theta energy: -157.037 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: 3 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -2308.922941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.922941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.922941 (E_RNA) where: Base-Base interactions energy: -1588.903 where: short stacking energy: -693.584 Base-Backbone interact. energy: 1.683 local terms energy: -721.702554 where: bonds (distance) C4'-P energy: -134.974 bonds (distance) P-C4' energy: -143.942 flat angles C4'-P-C4' energy: -165.754 flat angles P-C4'-P energy: -107.574 tors. eta vs tors. theta energy: -169.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -2235.596790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.596790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.596790 (E_RNA) where: Base-Base interactions energy: -1526.123 where: short stacking energy: -628.353 Base-Backbone interact. energy: 1.893 local terms energy: -711.366765 where: bonds (distance) C4'-P energy: -161.091 bonds (distance) P-C4' energy: -138.957 flat angles C4'-P-C4' energy: -176.964 flat angles P-C4'-P energy: -88.897 tors. eta vs tors. theta energy: -145.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -2154.528353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.528353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.528353 (E_RNA) where: Base-Base interactions energy: -1473.531 where: short stacking energy: -559.345 Base-Backbone interact. energy: -0.112 local terms energy: -680.886195 where: bonds (distance) C4'-P energy: -139.765 bonds (distance) P-C4' energy: -156.624 flat angles C4'-P-C4' energy: -160.241 flat angles P-C4'-P energy: -84.792 tors. eta vs tors. theta energy: -139.465 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: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1366.174238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.174238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.174238 (E_RNA) where: Base-Base interactions energy: -788.921 where: short stacking energy: -381.545 Base-Backbone interact. energy: -1.360 local terms energy: -575.893978 where: bonds (distance) C4'-P energy: -134.643 bonds (distance) P-C4' energy: -160.771 flat angles C4'-P-C4' energy: -128.080 flat angles P-C4'-P energy: -93.501 tors. eta vs tors. theta energy: -58.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -3247.837253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.837253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.837253 (E_RNA) where: Base-Base interactions energy: -2298.391 where: short stacking energy: -957.020 Base-Backbone interact. energy: 0.134 local terms energy: -949.580378 where: bonds (distance) C4'-P energy: -186.029 bonds (distance) P-C4' energy: -178.522 flat angles C4'-P-C4' energy: -205.605 flat angles P-C4'-P energy: -128.852 tors. eta vs tors. theta energy: -250.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -3102.076576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.076576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.076576 (E_RNA) where: Base-Base interactions energy: -2176.787 where: short stacking energy: -892.687 Base-Backbone interact. energy: -0.880 local terms energy: -924.410171 where: bonds (distance) C4'-P energy: -179.524 bonds (distance) P-C4' energy: -168.363 flat angles C4'-P-C4' energy: -200.580 flat angles P-C4'-P energy: -132.318 tors. eta vs tors. theta energy: -243.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -3028.716368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.716368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.716368 (E_RNA) where: Base-Base interactions energy: -2096.174 where: short stacking energy: -861.379 Base-Backbone interact. energy: 0.376 local terms energy: -932.918346 where: bonds (distance) C4'-P energy: -178.801 bonds (distance) P-C4' energy: -190.924 flat angles C4'-P-C4' energy: -198.803 flat angles P-C4'-P energy: -125.077 tors. eta vs tors. theta energy: -239.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2771.065890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.065890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.065890 (E_RNA) where: Base-Base interactions energy: -1910.022 where: short stacking energy: -772.540 Base-Backbone interact. energy: -0.121 local terms energy: -860.922932 where: bonds (distance) C4'-P energy: -169.583 bonds (distance) P-C4' energy: -179.217 flat angles C4'-P-C4' energy: -198.428 flat angles P-C4'-P energy: -120.991 tors. eta vs tors. theta energy: -192.704 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: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2642.051699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.051699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.051699 (E_RNA) where: Base-Base interactions energy: -1825.786 where: short stacking energy: -741.153 Base-Backbone interact. energy: 0.382 local terms energy: -816.647834 where: bonds (distance) C4'-P energy: -152.469 bonds (distance) P-C4' energy: -174.447 flat angles C4'-P-C4' energy: -181.674 flat angles P-C4'-P energy: -124.189 tors. eta vs tors. theta energy: -183.869 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: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2501.678002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.678002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.678002 (E_RNA) where: Base-Base interactions energy: -1704.347 where: short stacking energy: -751.023 Base-Backbone interact. energy: 3.552 local terms energy: -800.882787 where: bonds (distance) C4'-P energy: -159.476 bonds (distance) P-C4' energy: -156.562 flat angles C4'-P-C4' energy: -177.471 flat angles P-C4'-P energy: -117.262 tors. eta vs tors. theta energy: -190.112 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: 3 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -2345.440577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.440577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.440577 (E_RNA) where: Base-Base interactions energy: -1553.217 where: short stacking energy: -689.382 Base-Backbone interact. energy: -2.081 local terms energy: -790.142367 where: bonds (distance) C4'-P energy: -137.696 bonds (distance) P-C4' energy: -169.236 flat angles C4'-P-C4' energy: -185.940 flat angles P-C4'-P energy: -117.605 tors. eta vs tors. theta energy: -179.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -2268.511454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.511454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.511454 (E_RNA) where: Base-Base interactions energy: -1563.982 where: short stacking energy: -651.367 Base-Backbone interact. energy: 10.572 local terms energy: -715.101646 where: bonds (distance) C4'-P energy: -129.459 bonds (distance) P-C4' energy: -148.207 flat angles C4'-P-C4' energy: -181.318 flat angles P-C4'-P energy: -111.217 tors. eta vs tors. theta energy: -144.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -2189.023074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.023074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.023074 (E_RNA) where: Base-Base interactions energy: -1473.368 where: short stacking energy: -615.279 Base-Backbone interact. energy: 9.392 local terms energy: -725.047373 where: bonds (distance) C4'-P energy: -137.415 bonds (distance) P-C4' energy: -175.212 flat angles C4'-P-C4' energy: -160.031 flat angles P-C4'-P energy: -100.091 tors. eta vs tors. theta energy: -152.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1308.840721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.840721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.840721 (E_RNA) where: Base-Base interactions energy: -770.886 where: short stacking energy: -345.358 Base-Backbone interact. energy: -0.258 local terms energy: -537.696792 where: bonds (distance) C4'-P energy: -149.261 bonds (distance) P-C4' energy: -146.949 flat angles C4'-P-C4' energy: -129.832 flat angles P-C4'-P energy: -72.791 tors. eta vs tors. theta energy: -38.864 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: 10 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -3248.038327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.038327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.038327 (E_RNA) where: Base-Base interactions energy: -2305.346 where: short stacking energy: -943.692 Base-Backbone interact. energy: -1.566 local terms energy: -941.125697 where: bonds (distance) C4'-P energy: -178.709 bonds (distance) P-C4' energy: -178.750 flat angles C4'-P-C4' energy: -202.290 flat angles P-C4'-P energy: -128.139 tors. eta vs tors. theta energy: -253.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -3148.962722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.962722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.962722 (E_RNA) where: Base-Base interactions energy: -2173.688 where: short stacking energy: -911.454 Base-Backbone interact. energy: -2.342 local terms energy: -972.932997 where: bonds (distance) C4'-P energy: -176.501 bonds (distance) P-C4' energy: -174.877 flat angles C4'-P-C4' energy: -221.403 flat angles P-C4'-P energy: -131.092 tors. eta vs tors. theta energy: -269.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -3029.848095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.848095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.848095 (E_RNA) where: Base-Base interactions energy: -2132.421 where: short stacking energy: -870.137 Base-Backbone interact. energy: -1.159 local terms energy: -896.268350 where: bonds (distance) C4'-P energy: -170.307 bonds (distance) P-C4' energy: -175.732 flat angles C4'-P-C4' energy: -198.596 flat angles P-C4'-P energy: -120.628 tors. eta vs tors. theta energy: -231.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2857.765174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.765174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.765174 (E_RNA) where: Base-Base interactions energy: -2003.745 where: short stacking energy: -824.802 Base-Backbone interact. energy: -3.000 local terms energy: -851.020511 where: bonds (distance) C4'-P energy: -168.835 bonds (distance) P-C4' energy: -157.759 flat angles C4'-P-C4' energy: -187.585 flat angles P-C4'-P energy: -120.754 tors. eta vs tors. theta energy: -216.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2547.364559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.364559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.364559 (E_RNA) where: Base-Base interactions energy: -1693.846 where: short stacking energy: -721.454 Base-Backbone interact. energy: 3.752 local terms energy: -857.270069 where: bonds (distance) C4'-P energy: -175.211 bonds (distance) P-C4' energy: -158.155 flat angles C4'-P-C4' energy: -183.444 flat angles P-C4'-P energy: -133.784 tors. eta vs tors. theta energy: -206.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2627.565609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.565609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.565609 (E_RNA) where: Base-Base interactions energy: -1829.910 where: short stacking energy: -735.689 Base-Backbone interact. energy: -1.928 local terms energy: -795.727735 where: bonds (distance) C4'-P energy: -159.348 bonds (distance) P-C4' energy: -159.613 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -108.968 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: 7, replica: 1 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -2390.577446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.577446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.577446 (E_RNA) where: Base-Base interactions energy: -1644.083 where: short stacking energy: -677.050 Base-Backbone interact. energy: 1.039 local terms energy: -747.534100 where: bonds (distance) C4'-P energy: -148.679 bonds (distance) P-C4' energy: -159.689 flat angles C4'-P-C4' energy: -165.454 flat angles P-C4'-P energy: -95.138 tors. eta vs tors. theta energy: -178.574 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: 3 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -2267.252271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.252271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.252271 (E_RNA) where: Base-Base interactions energy: -1513.218 where: short stacking energy: -649.929 Base-Backbone interact. energy: -1.894 local terms energy: -752.140467 where: bonds (distance) C4'-P energy: -147.020 bonds (distance) P-C4' energy: -151.205 flat angles C4'-P-C4' energy: -169.781 flat angles P-C4'-P energy: -110.568 tors. eta vs tors. theta energy: -173.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -2057.374722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.374722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.374722 (E_RNA) where: Base-Base interactions energy: -1392.779 where: short stacking energy: -580.901 Base-Backbone interact. energy: -2.084 local terms energy: -662.511556 where: bonds (distance) C4'-P energy: -128.132 bonds (distance) P-C4' energy: -160.273 flat angles C4'-P-C4' energy: -139.062 flat angles P-C4'-P energy: -95.501 tors. eta vs tors. theta energy: -139.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1404.259251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.259251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.259251 (E_RNA) where: Base-Base interactions energy: -852.402 where: short stacking energy: -407.464 Base-Backbone interact. energy: 1.321 local terms energy: -553.178273 where: bonds (distance) C4'-P energy: -139.816 bonds (distance) P-C4' energy: -133.096 flat angles C4'-P-C4' energy: -138.160 flat angles P-C4'-P energy: -99.646 tors. eta vs tors. theta energy: -42.460 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: 1, replica: 10 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -3290.509788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.509788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.509788 (E_RNA) where: Base-Base interactions energy: -2324.904 where: short stacking energy: -953.777 Base-Backbone interact. energy: 0.656 local terms energy: -966.262259 where: bonds (distance) C4'-P energy: -188.128 bonds (distance) P-C4' energy: -169.913 flat angles C4'-P-C4' energy: -205.021 flat angles P-C4'-P energy: -146.345 tors. eta vs tors. theta energy: -256.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -3151.499761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.499761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.499761 (E_RNA) where: Base-Base interactions energy: -2213.316 where: short stacking energy: -927.384 Base-Backbone interact. energy: 0.872 local terms energy: -939.056284 where: bonds (distance) C4'-P energy: -184.181 bonds (distance) P-C4' energy: -171.056 flat angles C4'-P-C4' energy: -196.299 flat angles P-C4'-P energy: -126.378 tors. eta vs tors. theta energy: -261.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -3078.710167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.710167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.710167 (E_RNA) where: Base-Base interactions energy: -2173.088 where: short stacking energy: -895.145 Base-Backbone interact. energy: 0.822 local terms energy: -906.443338 where: bonds (distance) C4'-P energy: -172.387 bonds (distance) P-C4' energy: -170.530 flat angles C4'-P-C4' energy: -189.783 flat angles P-C4'-P energy: -134.511 tors. eta vs tors. theta energy: -239.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2837.998135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.998135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.998135 (E_RNA) where: Base-Base interactions energy: -1958.534 where: short stacking energy: -799.426 Base-Backbone interact. energy: -2.802 local terms energy: -876.662476 where: bonds (distance) C4'-P energy: -182.914 bonds (distance) P-C4' energy: -181.420 flat angles C4'-P-C4' energy: -196.787 flat angles P-C4'-P energy: -112.038 tors. eta vs tors. theta energy: -203.504 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: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2575.950277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.950277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.950277 (E_RNA) where: Base-Base interactions energy: -1733.931 where: short stacking energy: -726.537 Base-Backbone interact. energy: 0.103 local terms energy: -842.122179 where: bonds (distance) C4'-P energy: -161.341 bonds (distance) P-C4' energy: -184.554 flat angles C4'-P-C4' energy: -178.589 flat angles P-C4'-P energy: -115.218 tors. eta vs tors. theta energy: -202.419 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: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2653.467517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.467517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.467517 (E_RNA) where: Base-Base interactions energy: -1848.796 where: short stacking energy: -760.524 Base-Backbone interact. energy: -0.813 local terms energy: -803.859210 where: bonds (distance) C4'-P energy: -160.788 bonds (distance) P-C4' energy: -153.349 flat angles C4'-P-C4' energy: -171.470 flat angles P-C4'-P energy: -120.699 tors. eta vs tors. theta energy: -197.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -2528.259851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.259851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.259851 (E_RNA) where: Base-Base interactions energy: -1729.512 where: short stacking energy: -722.259 Base-Backbone interact. energy: -1.819 local terms energy: -796.929386 where: bonds (distance) C4'-P energy: -154.973 bonds (distance) P-C4' energy: -153.495 flat angles C4'-P-C4' energy: -179.538 flat angles P-C4'-P energy: -136.963 tors. eta vs tors. theta energy: -171.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -2310.504181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.504181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.504181 (E_RNA) where: Base-Base interactions energy: -1551.116 where: short stacking energy: -665.115 Base-Backbone interact. energy: -2.620 local terms energy: -756.768087 where: bonds (distance) C4'-P energy: -165.897 bonds (distance) P-C4' energy: -157.044 flat angles C4'-P-C4' energy: -163.965 flat angles P-C4'-P energy: -106.476 tors. eta vs tors. theta energy: -163.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -2041.877137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.877137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.877137 (E_RNA) where: Base-Base interactions energy: -1393.069 where: short stacking energy: -582.790 Base-Backbone interact. energy: -1.235 local terms energy: -647.572680 where: bonds (distance) C4'-P energy: -144.538 bonds (distance) P-C4' energy: -133.661 flat angles C4'-P-C4' energy: -160.551 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -131.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1421.037816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.037816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.037816 (E_RNA) where: Base-Base interactions energy: -859.327 where: short stacking energy: -414.007 Base-Backbone interact. energy: 5.356 local terms energy: -567.066338 where: bonds (distance) C4'-P energy: -150.144 bonds (distance) P-C4' energy: -152.839 flat angles C4'-P-C4' energy: -134.982 flat angles P-C4'-P energy: -77.586 tors. eta vs tors. theta energy: -51.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -3315.275803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.275803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.275803 (E_RNA) where: Base-Base interactions energy: -2340.068 where: short stacking energy: -947.517 Base-Backbone interact. energy: -0.606 local terms energy: -974.602333 where: bonds (distance) C4'-P energy: -180.334 bonds (distance) P-C4' energy: -183.213 flat angles C4'-P-C4' energy: -210.609 flat angles P-C4'-P energy: -138.575 tors. eta vs tors. theta energy: -261.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -3182.734270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.734270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.734270 (E_RNA) where: Base-Base interactions energy: -2223.778 where: short stacking energy: -927.935 Base-Backbone interact. energy: -2.706 local terms energy: -956.250469 where: bonds (distance) C4'-P energy: -175.233 bonds (distance) P-C4' energy: -187.180 flat angles C4'-P-C4' energy: -210.605 flat angles P-C4'-P energy: -132.735 tors. eta vs tors. theta energy: -250.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -3122.246954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.246954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.246954 (E_RNA) where: Base-Base interactions energy: -2223.126 where: short stacking energy: -899.362 Base-Backbone interact. energy: -0.735 local terms energy: -898.386055 where: bonds (distance) C4'-P energy: -168.863 bonds (distance) P-C4' energy: -170.866 flat angles C4'-P-C4' energy: -213.294 flat angles P-C4'-P energy: -97.893 tors. eta vs tors. theta energy: -247.470 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: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2904.367700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.367700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.367700 (E_RNA) where: Base-Base interactions energy: -2020.150 where: short stacking energy: -818.168 Base-Backbone interact. energy: -3.270 local terms energy: -880.947018 where: bonds (distance) C4'-P energy: -173.740 bonds (distance) P-C4' energy: -178.644 flat angles C4'-P-C4' energy: -208.372 flat angles P-C4'-P energy: -116.724 tors. eta vs tors. theta energy: -203.466 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: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2610.266040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.266040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.266040 (E_RNA) where: Base-Base interactions energy: -1757.213 where: short stacking energy: -743.787 Base-Backbone interact. energy: -2.502 local terms energy: -850.550921 where: bonds (distance) C4'-P energy: -147.035 bonds (distance) P-C4' energy: -176.532 flat angles C4'-P-C4' energy: -181.152 flat angles P-C4'-P energy: -134.365 tors. eta vs tors. theta energy: -211.467 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: 44 Temperature: 1.150000 Total energy: -2688.398363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.398363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.398363 (E_RNA) where: Base-Base interactions energy: -1884.350 where: short stacking energy: -781.506 Base-Backbone interact. energy: -0.980 local terms energy: -803.068405 where: bonds (distance) C4'-P energy: -180.279 bonds (distance) P-C4' energy: -161.926 flat angles C4'-P-C4' energy: -174.850 flat angles P-C4'-P energy: -95.144 tors. eta vs tors. theta energy: -190.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -2625.231076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.231076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.231076 (E_RNA) where: Base-Base interactions energy: -1847.762 where: short stacking energy: -775.041 Base-Backbone interact. energy: 7.496 local terms energy: -784.965222 where: bonds (distance) C4'-P energy: -133.924 bonds (distance) P-C4' energy: -166.030 flat angles C4'-P-C4' energy: -185.631 flat angles P-C4'-P energy: -98.649 tors. eta vs tors. theta energy: -200.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -2320.724239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.724239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.724239 (E_RNA) where: Base-Base interactions energy: -1605.763 where: short stacking energy: -668.823 Base-Backbone interact. energy: 2.915 local terms energy: -717.876667 where: bonds (distance) C4'-P energy: -139.889 bonds (distance) P-C4' energy: -154.822 flat angles C4'-P-C4' energy: -156.613 flat angles P-C4'-P energy: -100.451 tors. eta vs tors. theta energy: -166.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -2018.226544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.226544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.226544 (E_RNA) where: Base-Base interactions energy: -1330.119 where: short stacking energy: -560.183 Base-Backbone interact. energy: -2.068 local terms energy: -686.039305 where: bonds (distance) C4'-P energy: -144.887 bonds (distance) P-C4' energy: -145.779 flat angles C4'-P-C4' energy: -166.998 flat angles P-C4'-P energy: -92.000 tors. eta vs tors. theta energy: -136.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1448.203442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.203442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.203442 (E_RNA) where: Base-Base interactions energy: -869.735 where: short stacking energy: -418.529 Base-Backbone interact. energy: 1.944 local terms energy: -580.412605 where: bonds (distance) C4'-P energy: -150.055 bonds (distance) P-C4' energy: -162.626 flat angles C4'-P-C4' energy: -159.020 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: -44.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -3355.639923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3355.639923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3355.639923 (E_RNA) where: Base-Base interactions energy: -2381.923 where: short stacking energy: -979.379 Base-Backbone interact. energy: 4.492 local terms energy: -978.208680 where: bonds (distance) C4'-P energy: -191.867 bonds (distance) P-C4' energy: -168.919 flat angles C4'-P-C4' energy: -212.774 flat angles P-C4'-P energy: -152.126 tors. eta vs tors. theta energy: -252.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -3179.285040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.285040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.285040 (E_RNA) where: Base-Base interactions energy: -2225.554 where: short stacking energy: -909.690 Base-Backbone interact. energy: -3.071 local terms energy: -950.660421 where: bonds (distance) C4'-P energy: -182.905 bonds (distance) P-C4' energy: -191.666 flat angles C4'-P-C4' energy: -210.471 flat angles P-C4'-P energy: -112.831 tors. eta vs tors. theta energy: -252.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -3096.621725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.621725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.621725 (E_RNA) where: Base-Base interactions energy: -2205.442 where: short stacking energy: -896.530 Base-Backbone interact. energy: 4.042 local terms energy: -895.221254 where: bonds (distance) C4'-P energy: -151.398 bonds (distance) P-C4' energy: -175.773 flat angles C4'-P-C4' energy: -206.672 flat angles P-C4'-P energy: -119.947 tors. eta vs tors. theta energy: -241.431 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: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2920.889172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.889172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.889172 (E_RNA) where: Base-Base interactions energy: -2021.038 where: short stacking energy: -830.855 Base-Backbone interact. energy: -2.855 local terms energy: -896.996051 where: bonds (distance) C4'-P energy: -175.602 bonds (distance) P-C4' energy: -191.263 flat angles C4'-P-C4' energy: -199.636 flat angles P-C4'-P energy: -120.210 tors. eta vs tors. theta energy: -210.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2684.831563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.831563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.831563 (E_RNA) where: Base-Base interactions energy: -1803.946 where: short stacking energy: -771.645 Base-Backbone interact. energy: -4.322 local terms energy: -876.563260 where: bonds (distance) C4'-P energy: -186.019 bonds (distance) P-C4' energy: -183.736 flat angles C4'-P-C4' energy: -174.956 flat angles P-C4'-P energy: -117.567 tors. eta vs tors. theta energy: -214.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2676.054297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.054297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.054297 (E_RNA) where: Base-Base interactions energy: -1868.349 where: short stacking energy: -751.131 Base-Backbone interact. energy: -0.920 local terms energy: -806.784882 where: bonds (distance) C4'-P energy: -172.628 bonds (distance) P-C4' energy: -174.449 flat angles C4'-P-C4' energy: -169.409 flat angles P-C4'-P energy: -97.368 tors. eta vs tors. theta energy: -192.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -2600.352280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.352280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.352280 (E_RNA) where: Base-Base interactions energy: -1797.527 where: short stacking energy: -748.612 Base-Backbone interact. energy: 0.752 local terms energy: -803.577191 where: bonds (distance) C4'-P energy: -148.969 bonds (distance) P-C4' energy: -166.581 flat angles C4'-P-C4' energy: -186.495 flat angles P-C4'-P energy: -104.067 tors. eta vs tors. theta energy: -197.466 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: 3 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -2356.299338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.299338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.299338 (E_RNA) where: Base-Base interactions energy: -1626.557 where: short stacking energy: -700.371 Base-Backbone interact. energy: 1.691 local terms energy: -731.433549 where: bonds (distance) C4'-P energy: -121.156 bonds (distance) P-C4' energy: -136.953 flat angles C4'-P-C4' energy: -172.408 flat angles P-C4'-P energy: -113.382 tors. eta vs tors. theta energy: -187.535 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: 45 Temperature: 1.300000 Total energy: -2136.966577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.966577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.966577 (E_RNA) where: Base-Base interactions energy: -1450.490 where: short stacking energy: -594.408 Base-Backbone interact. energy: 1.772 local terms energy: -688.248750 where: bonds (distance) C4'-P energy: -135.717 bonds (distance) P-C4' energy: -155.151 flat angles C4'-P-C4' energy: -166.510 flat angles P-C4'-P energy: -89.369 tors. eta vs tors. theta energy: -141.501 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: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1373.798137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.798137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.798137 (E_RNA) where: Base-Base interactions energy: -853.831 where: short stacking energy: -380.568 Base-Backbone interact. energy: 11.036 local terms energy: -531.003791 where: bonds (distance) C4'-P energy: -130.143 bonds (distance) P-C4' energy: -153.372 flat angles C4'-P-C4' energy: -140.291 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: -34.789 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: 1, replica: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -3349.878582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3349.878582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3349.878582 (E_RNA) where: Base-Base interactions energy: -2344.736 where: short stacking energy: -978.637 Base-Backbone interact. energy: -3.085 local terms energy: -1002.057335 where: bonds (distance) C4'-P energy: -189.502 bonds (distance) P-C4' energy: -184.068 flat angles C4'-P-C4' energy: -212.978 flat angles P-C4'-P energy: -150.233 tors. eta vs tors. theta energy: -265.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -3217.351211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.351211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.351211 (E_RNA) where: Base-Base interactions energy: -2251.366 where: short stacking energy: -932.942 Base-Backbone interact. energy: -2.937 local terms energy: -963.048667 where: bonds (distance) C4'-P energy: -195.697 bonds (distance) P-C4' energy: -190.432 flat angles C4'-P-C4' energy: -203.075 flat angles P-C4'-P energy: -116.953 tors. eta vs tors. theta energy: -256.893 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: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -3147.831915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.831915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.831915 (E_RNA) where: Base-Base interactions energy: -2241.980 where: short stacking energy: -895.412 Base-Backbone interact. energy: -1.282 local terms energy: -904.570272 where: bonds (distance) C4'-P energy: -156.297 bonds (distance) P-C4' energy: -170.262 flat angles C4'-P-C4' energy: -190.081 flat angles P-C4'-P energy: -129.156 tors. eta vs tors. theta energy: -258.774 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: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2959.790295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.790295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.790295 (E_RNA) where: Base-Base interactions energy: -2089.973 where: short stacking energy: -819.434 Base-Backbone interact. energy: -2.336 local terms energy: -867.480979 where: bonds (distance) C4'-P energy: -157.459 bonds (distance) P-C4' energy: -180.767 flat angles C4'-P-C4' energy: -192.710 flat angles P-C4'-P energy: -130.933 tors. eta vs tors. theta energy: -205.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2735.682171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.682171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.682171 (E_RNA) where: Base-Base interactions energy: -1932.906 where: short stacking energy: -808.614 Base-Backbone interact. energy: -0.919 local terms energy: -801.857151 where: bonds (distance) C4'-P energy: -143.591 bonds (distance) P-C4' energy: -167.556 flat angles C4'-P-C4' energy: -182.747 flat angles P-C4'-P energy: -104.786 tors. eta vs tors. theta energy: -203.178 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: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2609.902452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.902452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.902452 (E_RNA) where: Base-Base interactions energy: -1795.335 where: short stacking energy: -749.546 Base-Backbone interact. energy: 0.606 local terms energy: -815.173425 where: bonds (distance) C4'-P energy: -146.025 bonds (distance) P-C4' energy: -158.501 flat angles C4'-P-C4' energy: -195.900 flat angles P-C4'-P energy: -117.765 tors. eta vs tors. theta energy: -196.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -2636.705054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.705054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.705054 (E_RNA) where: Base-Base interactions energy: -1880.142 where: short stacking energy: -769.308 Base-Backbone interact. energy: 0.453 local terms energy: -757.016262 where: bonds (distance) C4'-P energy: -133.127 bonds (distance) P-C4' energy: -154.170 flat angles C4'-P-C4' energy: -161.921 flat angles P-C4'-P energy: -106.092 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: 8, replica: 3 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -2352.112181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.112181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.112181 (E_RNA) where: Base-Base interactions energy: -1589.609 where: short stacking energy: -653.569 Base-Backbone interact. energy: -0.609 local terms energy: -761.894068 where: bonds (distance) C4'-P energy: -145.445 bonds (distance) P-C4' energy: -167.945 flat angles C4'-P-C4' energy: -175.073 flat angles P-C4'-P energy: -116.567 tors. eta vs tors. theta energy: -156.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -2104.538604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.538604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.538604 (E_RNA) where: Base-Base interactions energy: -1403.478 where: short stacking energy: -592.405 Base-Backbone interact. energy: 5.010 local terms energy: -706.070695 where: bonds (distance) C4'-P energy: -137.444 bonds (distance) P-C4' energy: -163.594 flat angles C4'-P-C4' energy: -151.721 flat angles P-C4'-P energy: -112.504 tors. eta vs tors. theta energy: -140.807 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: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1546.394848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.394848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.394848 (E_RNA) where: Base-Base interactions energy: -960.739 where: short stacking energy: -458.443 Base-Backbone interact. energy: 8.389 local terms energy: -594.044569 where: bonds (distance) C4'-P energy: -134.659 bonds (distance) P-C4' energy: -155.269 flat angles C4'-P-C4' energy: -139.070 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -80.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -3385.103609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3385.103609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3385.103609 (E_RNA) where: Base-Base interactions energy: -2410.447 where: short stacking energy: -995.392 Base-Backbone interact. energy: -2.244 local terms energy: -972.412964 where: bonds (distance) C4'-P energy: -186.376 bonds (distance) P-C4' energy: -171.030 flat angles C4'-P-C4' energy: -202.895 flat angles P-C4'-P energy: -150.130 tors. eta vs tors. theta energy: -261.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -3203.772360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.772360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.772360 (E_RNA) where: Base-Base interactions energy: -2289.531 where: short stacking energy: -935.457 Base-Backbone interact. energy: -3.669 local terms energy: -910.571510 where: bonds (distance) C4'-P energy: -167.346 bonds (distance) P-C4' energy: -184.364 flat angles C4'-P-C4' energy: -196.713 flat angles P-C4'-P energy: -108.380 tors. eta vs tors. theta energy: -253.769 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: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -3145.784558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.784558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.784558 (E_RNA) where: Base-Base interactions energy: -2231.107 where: short stacking energy: -904.534 Base-Backbone interact. energy: -1.155 local terms energy: -913.522612 where: bonds (distance) C4'-P energy: -152.990 bonds (distance) P-C4' energy: -178.991 flat angles C4'-P-C4' energy: -211.709 flat angles P-C4'-P energy: -123.710 tors. eta vs tors. theta energy: -246.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2994.812036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.812036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.812036 (E_RNA) where: Base-Base interactions energy: -2133.625 where: short stacking energy: -816.015 Base-Backbone interact. energy: -0.904 local terms energy: -860.283234 where: bonds (distance) C4'-P energy: -172.084 bonds (distance) P-C4' energy: -172.638 flat angles C4'-P-C4' energy: -179.692 flat angles P-C4'-P energy: -124.461 tors. eta vs tors. theta energy: -211.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2832.764421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.764421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.764421 (E_RNA) where: Base-Base interactions energy: -1968.518 where: short stacking energy: -803.902 Base-Backbone interact. energy: 1.812 local terms energy: -866.058410 where: bonds (distance) C4'-P energy: -154.665 bonds (distance) P-C4' energy: -179.483 flat angles C4'-P-C4' energy: -190.176 flat angles P-C4'-P energy: -122.052 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: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2763.030481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.030481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.030481 (E_RNA) where: Base-Base interactions energy: -1919.050 where: short stacking energy: -759.595 Base-Backbone interact. energy: -1.466 local terms energy: -842.514174 where: bonds (distance) C4'-P energy: -154.035 bonds (distance) P-C4' energy: -173.605 flat angles C4'-P-C4' energy: -183.302 flat angles P-C4'-P energy: -125.609 tors. eta vs tors. theta energy: -205.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -2536.854293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.854293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.854293 (E_RNA) where: Base-Base interactions energy: -1758.407 where: short stacking energy: -729.012 Base-Backbone interact. energy: -2.129 local terms energy: -776.318166 where: bonds (distance) C4'-P energy: -120.443 bonds (distance) P-C4' energy: -162.359 flat angles C4'-P-C4' energy: -182.707 flat angles P-C4'-P energy: -124.066 tors. eta vs tors. theta energy: -186.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -2329.135443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.135443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.135443 (E_RNA) where: Base-Base interactions energy: -1615.001 where: short stacking energy: -665.952 Base-Backbone interact. energy: 0.836 local terms energy: -714.970333 where: bonds (distance) C4'-P energy: -136.498 bonds (distance) P-C4' energy: -156.670 flat angles C4'-P-C4' energy: -174.201 flat angles P-C4'-P energy: -91.043 tors. eta vs tors. theta energy: -156.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -2158.300591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.300591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.300591 (E_RNA) where: Base-Base interactions energy: -1464.240 where: short stacking energy: -598.091 Base-Backbone interact. energy: -0.497 local terms energy: -693.563822 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -128.039 flat angles C4'-P-C4' energy: -159.574 flat angles P-C4'-P energy: -108.454 tors. eta vs tors. theta energy: -159.543 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: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1566.373016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.373016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.373016 (E_RNA) where: Base-Base interactions energy: -998.242 where: short stacking energy: -449.811 Base-Backbone interact. energy: 6.552 local terms energy: -574.683632 where: bonds (distance) C4'-P energy: -144.535 bonds (distance) P-C4' energy: -143.400 flat angles C4'-P-C4' energy: -120.723 flat angles P-C4'-P energy: -95.510 tors. eta vs tors. theta energy: -70.516 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: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -3372.305002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3372.305002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3372.305002 (E_RNA) where: Base-Base interactions energy: -2398.304 where: short stacking energy: -981.998 Base-Backbone interact. energy: -1.902 local terms energy: -972.099336 where: bonds (distance) C4'-P energy: -174.416 bonds (distance) P-C4' energy: -196.546 flat angles C4'-P-C4' energy: -201.322 flat angles P-C4'-P energy: -135.887 tors. eta vs tors. theta energy: -263.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -3153.403271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.403271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.403271 (E_RNA) where: Base-Base interactions energy: -2235.827 where: short stacking energy: -956.588 Base-Backbone interact. energy: -1.641 local terms energy: -915.935117 where: bonds (distance) C4'-P energy: -164.461 bonds (distance) P-C4' energy: -186.855 flat angles C4'-P-C4' energy: -198.608 flat angles P-C4'-P energy: -115.223 tors. eta vs tors. theta energy: -250.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -3139.164937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.164937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.164937 (E_RNA) where: Base-Base interactions energy: -2214.017 where: short stacking energy: -882.910 Base-Backbone interact. energy: -1.067 local terms energy: -924.080981 where: bonds (distance) C4'-P energy: -167.671 bonds (distance) P-C4' energy: -169.598 flat angles C4'-P-C4' energy: -201.782 flat angles P-C4'-P energy: -147.898 tors. eta vs tors. theta energy: -237.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2987.350252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.350252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.350252 (E_RNA) where: Base-Base interactions energy: -2078.625 where: short stacking energy: -853.579 Base-Backbone interact. energy: -0.960 local terms energy: -907.765203 where: bonds (distance) C4'-P energy: -168.323 bonds (distance) P-C4' energy: -178.924 flat angles C4'-P-C4' energy: -194.163 flat angles P-C4'-P energy: -129.689 tors. eta vs tors. theta energy: -236.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2856.645128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.645128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.645128 (E_RNA) where: Base-Base interactions energy: -2026.887 where: short stacking energy: -832.323 Base-Backbone interact. energy: -1.236 local terms energy: -828.522021 where: bonds (distance) C4'-P energy: -145.954 bonds (distance) P-C4' energy: -162.626 flat angles C4'-P-C4' energy: -178.454 flat angles P-C4'-P energy: -106.006 tors. eta vs tors. theta energy: -235.481 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: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2819.347675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.347675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.347675 (E_RNA) where: Base-Base interactions energy: -1954.245 where: short stacking energy: -799.810 Base-Backbone interact. energy: -3.714 local terms energy: -861.388795 where: bonds (distance) C4'-P energy: -146.497 bonds (distance) P-C4' energy: -172.615 flat angles C4'-P-C4' energy: -194.238 flat angles P-C4'-P energy: -125.469 tors. eta vs tors. theta energy: -222.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -2507.364847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.364847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.364847 (E_RNA) where: Base-Base interactions energy: -1709.476 where: short stacking energy: -698.443 Base-Backbone interact. energy: -1.377 local terms energy: -796.511997 where: bonds (distance) C4'-P energy: -158.742 bonds (distance) P-C4' energy: -154.273 flat angles C4'-P-C4' energy: -179.192 flat angles P-C4'-P energy: -125.492 tors. eta vs tors. theta energy: -178.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -2337.159833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.159833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.159833 (E_RNA) where: Base-Base interactions energy: -1591.742 where: short stacking energy: -645.637 Base-Backbone interact. energy: -0.352 local terms energy: -745.065282 where: bonds (distance) C4'-P energy: -152.714 bonds (distance) P-C4' energy: -160.846 flat angles C4'-P-C4' energy: -160.689 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -164.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -2090.836300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.836300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.836300 (E_RNA) where: Base-Base interactions energy: -1401.379 where: short stacking energy: -564.281 Base-Backbone interact. energy: -0.414 local terms energy: -689.043589 where: bonds (distance) C4'-P energy: -144.932 bonds (distance) P-C4' energy: -149.554 flat angles C4'-P-C4' energy: -170.582 flat angles P-C4'-P energy: -84.100 tors. eta vs tors. theta energy: -139.876 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: 10, replica: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1532.659127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.659127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.659127 (E_RNA) where: Base-Base interactions energy: -923.141 where: short stacking energy: -404.598 Base-Backbone interact. energy: -0.285 local terms energy: -609.232904 where: bonds (distance) C4'-P energy: -151.892 bonds (distance) P-C4' energy: -161.172 flat angles C4'-P-C4' energy: -145.986 flat angles P-C4'-P energy: -77.634 tors. eta vs tors. theta energy: -72.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -3401.106264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3401.106264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3401.106264 (E_RNA) where: Base-Base interactions energy: -2411.720 where: short stacking energy: -963.367 Base-Backbone interact. energy: -1.441 local terms energy: -987.945564 where: bonds (distance) C4'-P energy: -186.892 bonds (distance) P-C4' energy: -187.614 flat angles C4'-P-C4' energy: -206.485 flat angles P-C4'-P energy: -138.327 tors. eta vs tors. theta energy: -268.627 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: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -3215.103551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.103551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.103551 (E_RNA) where: Base-Base interactions energy: -2261.420 where: short stacking energy: -916.532 Base-Backbone interact. energy: -0.691 local terms energy: -952.991868 where: bonds (distance) C4'-P energy: -177.665 bonds (distance) P-C4' energy: -180.723 flat angles C4'-P-C4' energy: -218.249 flat angles P-C4'-P energy: -134.509 tors. eta vs tors. theta energy: -241.845 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: 49 Temperature: 1.000000 Total energy: -3129.285370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.285370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.285370 (E_RNA) where: Base-Base interactions energy: -2205.339 where: short stacking energy: -915.898 Base-Backbone interact. energy: -1.600 local terms energy: -922.345770 where: bonds (distance) C4'-P energy: -172.755 bonds (distance) P-C4' energy: -184.190 flat angles C4'-P-C4' energy: -190.670 flat angles P-C4'-P energy: -122.075 tors. eta vs tors. theta energy: -252.655 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: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2999.372952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.372952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.372952 (E_RNA) where: Base-Base interactions energy: -2132.119 where: short stacking energy: -847.716 Base-Backbone interact. energy: 1.489 local terms energy: -868.743136 where: bonds (distance) C4'-P energy: -170.193 bonds (distance) P-C4' energy: -169.263 flat angles C4'-P-C4' energy: -184.986 flat angles P-C4'-P energy: -124.929 tors. eta vs tors. theta energy: -219.372 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: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2903.900950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.900950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.900950 (E_RNA) where: Base-Base interactions energy: -2043.941 where: short stacking energy: -826.008 Base-Backbone interact. energy: 0.518 local terms energy: -860.478411 where: bonds (distance) C4'-P energy: -172.955 bonds (distance) P-C4' energy: -147.931 flat angles C4'-P-C4' energy: -191.196 flat angles P-C4'-P energy: -116.125 tors. eta vs tors. theta energy: -232.271 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: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2793.288513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.288513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.288513 (E_RNA) where: Base-Base interactions energy: -1973.160 where: short stacking energy: -818.378 Base-Backbone interact. energy: 0.471 local terms energy: -820.599590 where: bonds (distance) C4'-P energy: -152.453 bonds (distance) P-C4' energy: -142.492 flat angles C4'-P-C4' energy: -187.376 flat angles P-C4'-P energy: -122.548 tors. eta vs tors. theta energy: -215.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -2518.276549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.276549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.276549 (E_RNA) where: Base-Base interactions energy: -1717.272 where: short stacking energy: -698.429 Base-Backbone interact. energy: 4.647 local terms energy: -805.652171 where: bonds (distance) C4'-P energy: -162.783 bonds (distance) P-C4' energy: -161.953 flat angles C4'-P-C4' energy: -174.501 flat angles P-C4'-P energy: -123.107 tors. eta vs tors. theta energy: -183.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -2363.198174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.198174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.198174 (E_RNA) where: Base-Base interactions energy: -1624.537 where: short stacking energy: -663.216 Base-Backbone interact. energy: -2.372 local terms energy: -736.289534 where: bonds (distance) C4'-P energy: -167.651 bonds (distance) P-C4' energy: -152.996 flat angles C4'-P-C4' energy: -155.573 flat angles P-C4'-P energy: -101.279 tors. eta vs tors. theta energy: -158.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -2022.803160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.803160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.803160 (E_RNA) where: Base-Base interactions energy: -1378.372 where: short stacking energy: -544.120 Base-Backbone interact. energy: -2.630 local terms energy: -641.801464 where: bonds (distance) C4'-P energy: -147.647 bonds (distance) P-C4' energy: -142.014 flat angles C4'-P-C4' energy: -131.582 flat angles P-C4'-P energy: -102.808 tors. eta vs tors. theta energy: -117.751 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: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1594.799544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.799544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.799544 (E_RNA) where: Base-Base interactions energy: -1052.545 where: short stacking energy: -477.458 Base-Backbone interact. energy: 4.726 local terms energy: -546.980438 where: bonds (distance) C4'-P energy: -131.090 bonds (distance) P-C4' energy: -132.620 flat angles C4'-P-C4' energy: -150.735 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -58.060 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: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -3391.867643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3391.867643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3391.867643 (E_RNA) where: Base-Base interactions energy: -2441.339 where: short stacking energy: -953.295 Base-Backbone interact. energy: -0.707 local terms energy: -949.820758 where: bonds (distance) C4'-P energy: -157.016 bonds (distance) P-C4' energy: -194.654 flat angles C4'-P-C4' energy: -218.916 flat angles P-C4'-P energy: -123.448 tors. eta vs tors. theta energy: -255.788 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: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -3255.179050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.179050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.179050 (E_RNA) where: Base-Base interactions energy: -2292.600 where: short stacking energy: -928.210 Base-Backbone interact. energy: 0.728 local terms energy: -963.307548 where: bonds (distance) C4'-P energy: -175.538 bonds (distance) P-C4' energy: -190.004 flat angles C4'-P-C4' energy: -208.470 flat angles P-C4'-P energy: -142.423 tors. eta vs tors. theta energy: -246.873 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: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -3108.690252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.690252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.690252 (E_RNA) where: Base-Base interactions energy: -2196.321 where: short stacking energy: -906.875 Base-Backbone interact. energy: 1.653 local terms energy: -914.022294 where: bonds (distance) C4'-P energy: -160.097 bonds (distance) P-C4' energy: -191.763 flat angles C4'-P-C4' energy: -189.208 flat angles P-C4'-P energy: -135.240 tors. eta vs tors. theta energy: -237.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -3008.618243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.618243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.618243 (E_RNA) where: Base-Base interactions energy: -2153.730 where: short stacking energy: -837.775 Base-Backbone interact. energy: -2.343 local terms energy: -852.545217 where: bonds (distance) C4'-P energy: -140.740 bonds (distance) P-C4' energy: -178.784 flat angles C4'-P-C4' energy: -187.848 flat angles P-C4'-P energy: -128.514 tors. eta vs tors. theta energy: -216.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2869.365862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.365862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.365862 (E_RNA) where: Base-Base interactions energy: -2010.790 where: short stacking energy: -822.433 Base-Backbone interact. energy: -0.571 local terms energy: -858.005544 where: bonds (distance) C4'-P energy: -161.499 bonds (distance) P-C4' energy: -166.163 flat angles C4'-P-C4' energy: -176.680 flat angles P-C4'-P energy: -128.644 tors. eta vs tors. theta energy: -225.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2841.293588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.293588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.293588 (E_RNA) where: Base-Base interactions energy: -2006.564 where: short stacking energy: -806.578 Base-Backbone interact. energy: -2.364 local terms energy: -832.364854 where: bonds (distance) C4'-P energy: -146.449 bonds (distance) P-C4' energy: -159.846 flat angles C4'-P-C4' energy: -184.467 flat angles P-C4'-P energy: -125.287 tors. eta vs tors. theta energy: -216.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -2546.003475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.003475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.003475 (E_RNA) where: Base-Base interactions energy: -1760.655 where: short stacking energy: -731.772 Base-Backbone interact. energy: 2.602 local terms energy: -787.950148 where: bonds (distance) C4'-P energy: -138.130 bonds (distance) P-C4' energy: -160.221 flat angles C4'-P-C4' energy: -182.969 flat angles P-C4'-P energy: -119.512 tors. eta vs tors. theta energy: -187.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -2373.247851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.247851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.247851 (E_RNA) where: Base-Base interactions energy: -1618.093 where: short stacking energy: -693.874 Base-Backbone interact. energy: 5.568 local terms energy: -760.723033 where: bonds (distance) C4'-P energy: -148.410 bonds (distance) P-C4' energy: -144.935 flat angles C4'-P-C4' energy: -161.465 flat angles P-C4'-P energy: -128.148 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: 7 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -2040.500307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.500307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.500307 (E_RNA) where: Base-Base interactions energy: -1370.731 where: short stacking energy: -559.314 Base-Backbone interact. energy: 2.591 local terms energy: -672.360169 where: bonds (distance) C4'-P energy: -126.869 bonds (distance) P-C4' energy: -146.808 flat angles C4'-P-C4' energy: -167.861 flat angles P-C4'-P energy: -104.234 tors. eta vs tors. theta energy: -126.588 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: 4 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1584.465904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.465904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.465904 (E_RNA) where: Base-Base interactions energy: -1007.217 where: short stacking energy: -455.092 Base-Backbone interact. energy: 3.528 local terms energy: -580.777231 where: bonds (distance) C4'-P energy: -120.586 bonds (distance) P-C4' energy: -146.616 flat angles C4'-P-C4' energy: -152.181 flat angles P-C4'-P energy: -83.861 tors. eta vs tors. theta energy: -77.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -3409.141273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3409.141273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3409.141273 (E_RNA) where: Base-Base interactions energy: -2431.424 where: short stacking energy: -988.226 Base-Backbone interact. energy: 4.120 local terms energy: -981.837586 where: bonds (distance) C4'-P energy: -187.911 bonds (distance) P-C4' energy: -175.247 flat angles C4'-P-C4' energy: -221.841 flat angles P-C4'-P energy: -133.625 tors. eta vs tors. theta energy: -263.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -3235.235645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.235645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.235645 (E_RNA) where: Base-Base interactions energy: -2292.692 where: short stacking energy: -919.823 Base-Backbone interact. energy: 1.369 local terms energy: -943.912758 where: bonds (distance) C4'-P energy: -183.695 bonds (distance) P-C4' energy: -187.449 flat angles C4'-P-C4' energy: -198.691 flat angles P-C4'-P energy: -126.717 tors. eta vs tors. theta energy: -247.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -3143.479387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.479387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.479387 (E_RNA) where: Base-Base interactions energy: -2222.803 where: short stacking energy: -899.703 Base-Backbone interact. energy: -1.185 local terms energy: -919.491562 where: bonds (distance) C4'-P energy: -178.850 bonds (distance) P-C4' energy: -180.019 flat angles C4'-P-C4' energy: -188.919 flat angles P-C4'-P energy: -128.942 tors. eta vs tors. theta energy: -242.762 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: 51 Temperature: 1.050000 Total energy: -3105.042539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.042539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.042539 (E_RNA) where: Base-Base interactions energy: -2236.775 where: short stacking energy: -870.279 Base-Backbone interact. energy: -3.630 local terms energy: -864.637773 where: bonds (distance) C4'-P energy: -157.669 bonds (distance) P-C4' energy: -166.788 flat angles C4'-P-C4' energy: -198.369 flat angles P-C4'-P energy: -116.436 tors. eta vs tors. theta energy: -225.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2892.260203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.260203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.260203 (E_RNA) where: Base-Base interactions energy: -2026.348 where: short stacking energy: -836.099 Base-Backbone interact. energy: -2.499 local terms energy: -863.412708 where: bonds (distance) C4'-P energy: -148.520 bonds (distance) P-C4' energy: -156.505 flat angles C4'-P-C4' energy: -193.268 flat angles P-C4'-P energy: -129.368 tors. eta vs tors. theta energy: -235.752 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2835.072914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.072914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.072914 (E_RNA) where: Base-Base interactions energy: -1992.822 where: short stacking energy: -798.145 Base-Backbone interact. energy: -0.094 local terms energy: -842.157092 where: bonds (distance) C4'-P energy: -158.291 bonds (distance) P-C4' energy: -157.828 flat angles C4'-P-C4' energy: -174.901 flat angles P-C4'-P energy: -128.466 tors. eta vs tors. theta energy: -222.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -2585.755840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.755840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.755840 (E_RNA) where: Base-Base interactions energy: -1828.369 where: short stacking energy: -771.436 Base-Backbone interact. energy: -0.144 local terms energy: -757.243063 where: bonds (distance) C4'-P energy: -145.198 bonds (distance) P-C4' energy: -148.106 flat angles C4'-P-C4' energy: -151.646 flat angles P-C4'-P energy: -106.715 tors. eta vs tors. theta energy: -205.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -2362.272969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.272969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.272969 (E_RNA) where: Base-Base interactions energy: -1648.578 where: short stacking energy: -667.662 Base-Backbone interact. energy: 1.227 local terms energy: -714.921901 where: bonds (distance) C4'-P energy: -136.804 bonds (distance) P-C4' energy: -132.228 flat angles C4'-P-C4' energy: -159.869 flat angles P-C4'-P energy: -119.402 tors. eta vs tors. theta energy: -166.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -2034.763762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.763762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.763762 (E_RNA) where: Base-Base interactions energy: -1387.145 where: short stacking energy: -580.938 Base-Backbone interact. energy: 2.381 local terms energy: -649.999535 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -134.849 flat angles C4'-P-C4' energy: -168.770 flat angles P-C4'-P energy: -102.433 tors. eta vs tors. theta energy: -126.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1534.329195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.329195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.329195 (E_RNA) where: Base-Base interactions energy: -932.741 where: short stacking energy: -417.478 Base-Backbone interact. energy: 1.159 local terms energy: -602.746905 where: bonds (distance) C4'-P energy: -155.478 bonds (distance) P-C4' energy: -131.684 flat angles C4'-P-C4' energy: -148.655 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -59.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -3436.676950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3436.676950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3436.676950 (E_RNA) where: Base-Base interactions energy: -2437.104 where: short stacking energy: -980.617 Base-Backbone interact. energy: -5.087 local terms energy: -994.486279 where: bonds (distance) C4'-P energy: -170.045 bonds (distance) P-C4' energy: -204.496 flat angles C4'-P-C4' energy: -206.559 flat angles P-C4'-P energy: -149.293 tors. eta vs tors. theta energy: -264.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -3254.317032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.317032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.317032 (E_RNA) where: Base-Base interactions energy: -2292.300 where: short stacking energy: -931.336 Base-Backbone interact. energy: -0.783 local terms energy: -961.234444 where: bonds (distance) C4'-P energy: -176.723 bonds (distance) P-C4' energy: -182.258 flat angles C4'-P-C4' energy: -210.626 flat angles P-C4'-P energy: -131.758 tors. eta vs tors. theta energy: -259.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -3076.908859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.908859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.908859 (E_RNA) where: Base-Base interactions energy: -2164.364 where: short stacking energy: -864.493 Base-Backbone interact. energy: -3.301 local terms energy: -909.244559 where: bonds (distance) C4'-P energy: -182.945 bonds (distance) P-C4' energy: -174.568 flat angles C4'-P-C4' energy: -195.442 flat angles P-C4'-P energy: -124.671 tors. eta vs tors. theta energy: -231.620 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: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -3124.423729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.423729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.423729 (E_RNA) where: Base-Base interactions energy: -2255.698 where: short stacking energy: -900.739 Base-Backbone interact. energy: 0.308 local terms energy: -869.033707 where: bonds (distance) C4'-P energy: -169.574 bonds (distance) P-C4' energy: -157.556 flat angles C4'-P-C4' energy: -196.002 flat angles P-C4'-P energy: -117.786 tors. eta vs tors. theta energy: -228.115 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: 1 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2887.459450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.459450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.459450 (E_RNA) where: Base-Base interactions energy: -2025.378 where: short stacking energy: -812.590 Base-Backbone interact. energy: -1.363 local terms energy: -860.718278 where: bonds (distance) C4'-P energy: -167.891 bonds (distance) P-C4' energy: -169.036 flat angles C4'-P-C4' energy: -188.594 flat angles P-C4'-P energy: -129.737 tors. eta vs tors. theta energy: -205.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2834.319660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.319660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.319660 (E_RNA) where: Base-Base interactions energy: -1968.236 where: short stacking energy: -793.246 Base-Backbone interact. energy: -0.976 local terms energy: -865.107405 where: bonds (distance) C4'-P energy: -176.751 bonds (distance) P-C4' energy: -175.618 flat angles C4'-P-C4' energy: -176.465 flat angles P-C4'-P energy: -123.873 tors. eta vs tors. theta energy: -212.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -2559.873462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.873462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.873462 (E_RNA) where: Base-Base interactions energy: -1769.630 where: short stacking energy: -720.179 Base-Backbone interact. energy: -0.151 local terms energy: -790.092931 where: bonds (distance) C4'-P energy: -139.042 bonds (distance) P-C4' energy: -179.751 flat angles C4'-P-C4' energy: -168.030 flat angles P-C4'-P energy: -107.560 tors. eta vs tors. theta energy: -195.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -2407.740417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.740417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.740417 (E_RNA) where: Base-Base interactions energy: -1668.046 where: short stacking energy: -695.311 Base-Backbone interact. energy: -2.603 local terms energy: -737.091163 where: bonds (distance) C4'-P energy: -138.220 bonds (distance) P-C4' energy: -161.496 flat angles C4'-P-C4' energy: -159.145 flat angles P-C4'-P energy: -114.393 tors. eta vs tors. theta energy: -163.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1962.229707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.229707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.229707 (E_RNA) where: Base-Base interactions energy: -1321.657 where: short stacking energy: -570.898 Base-Backbone interact. energy: -0.567 local terms energy: -640.005931 where: bonds (distance) C4'-P energy: -136.525 bonds (distance) P-C4' energy: -156.371 flat angles C4'-P-C4' energy: -140.250 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -113.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1567.680506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.680506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.680506 (E_RNA) where: Base-Base interactions energy: -960.681 where: short stacking energy: -436.258 Base-Backbone interact. energy: -1.284 local terms energy: -605.715559 where: bonds (distance) C4'-P energy: -146.693 bonds (distance) P-C4' energy: -163.793 flat angles C4'-P-C4' energy: -161.855 flat angles P-C4'-P energy: -80.877 tors. eta vs tors. theta energy: -52.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -3417.723359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3417.723359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3417.723359 (E_RNA) where: Base-Base interactions energy: -2428.731 where: short stacking energy: -973.323 Base-Backbone interact. energy: -2.264 local terms energy: -986.728288 where: bonds (distance) C4'-P energy: -185.703 bonds (distance) P-C4' energy: -187.951 flat angles C4'-P-C4' energy: -220.775 flat angles P-C4'-P energy: -139.665 tors. eta vs tors. theta energy: -252.634 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: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -3232.947137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.947137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.947137 (E_RNA) where: Base-Base interactions energy: -2254.013 where: short stacking energy: -917.835 Base-Backbone interact. energy: -3.418 local terms energy: -975.516007 where: bonds (distance) C4'-P energy: -183.489 bonds (distance) P-C4' energy: -176.340 flat angles C4'-P-C4' energy: -220.059 flat angles P-C4'-P energy: -137.579 tors. eta vs tors. theta energy: -258.049 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: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -3099.141692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.141692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.141692 (E_RNA) where: Base-Base interactions energy: -2216.180 where: short stacking energy: -897.580 Base-Backbone interact. energy: -0.103 local terms energy: -882.858445 where: bonds (distance) C4'-P energy: -156.980 bonds (distance) P-C4' energy: -173.553 flat angles C4'-P-C4' energy: -195.609 flat angles P-C4'-P energy: -117.554 tors. eta vs tors. theta energy: -239.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -3094.276764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.276764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.276764 (E_RNA) where: Base-Base interactions energy: -2241.955 where: short stacking energy: -881.302 Base-Backbone interact. energy: 4.772 local terms energy: -857.093439 where: bonds (distance) C4'-P energy: -162.237 bonds (distance) P-C4' energy: -160.580 flat angles C4'-P-C4' energy: -190.841 flat angles P-C4'-P energy: -107.898 tors. eta vs tors. theta energy: -235.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2930.188750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.188750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.188750 (E_RNA) where: Base-Base interactions energy: -2045.175 where: short stacking energy: -839.452 Base-Backbone interact. energy: -3.020 local terms energy: -881.993369 where: bonds (distance) C4'-P energy: -165.656 bonds (distance) P-C4' energy: -174.088 flat angles C4'-P-C4' energy: -188.264 flat angles P-C4'-P energy: -121.598 tors. eta vs tors. theta energy: -232.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2846.346449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.346449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.346449 (E_RNA) where: Base-Base interactions energy: -2027.880 where: short stacking energy: -817.888 Base-Backbone interact. energy: -1.090 local terms energy: -817.376410 where: bonds (distance) C4'-P energy: -134.102 bonds (distance) P-C4' energy: -164.473 flat angles C4'-P-C4' energy: -176.372 flat angles P-C4'-P energy: -115.224 tors. eta vs tors. theta energy: -227.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -2626.771590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.771590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.771590 (E_RNA) where: Base-Base interactions energy: -1834.171 where: short stacking energy: -767.668 Base-Backbone interact. energy: 2.076 local terms energy: -794.677369 where: bonds (distance) C4'-P energy: -156.000 bonds (distance) P-C4' energy: -132.416 flat angles C4'-P-C4' energy: -179.549 flat angles P-C4'-P energy: -115.815 tors. eta vs tors. theta energy: -210.898 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: 53 Temperature: 1.250000 Total energy: -2475.501848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.501848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.501848 (E_RNA) where: Base-Base interactions energy: -1723.561 where: short stacking energy: -699.947 Base-Backbone interact. energy: 3.433 local terms energy: -755.374263 where: bonds (distance) C4'-P energy: -156.296 bonds (distance) P-C4' energy: -147.403 flat angles C4'-P-C4' energy: -168.511 flat angles P-C4'-P energy: -107.502 tors. eta vs tors. theta energy: -175.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -2023.435122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.435122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.435122 (E_RNA) where: Base-Base interactions energy: -1330.225 where: short stacking energy: -585.189 Base-Backbone interact. energy: -0.168 local terms energy: -693.041773 where: bonds (distance) C4'-P energy: -137.702 bonds (distance) P-C4' energy: -155.630 flat angles C4'-P-C4' energy: -164.252 flat angles P-C4'-P energy: -103.070 tors. eta vs tors. theta energy: -132.389 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: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1591.605013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.605013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.605013 (E_RNA) where: Base-Base interactions energy: -1000.727 where: short stacking energy: -445.795 Base-Backbone interact. energy: 0.061 local terms energy: -590.938657 where: bonds (distance) C4'-P energy: -161.732 bonds (distance) P-C4' energy: -167.961 flat angles C4'-P-C4' energy: -130.122 flat angles P-C4'-P energy: -79.768 tors. eta vs tors. theta energy: -51.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -3457.024421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.024421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.024421 (E_RNA) where: Base-Base interactions energy: -2485.716 where: short stacking energy: -1009.236 Base-Backbone interact. energy: -1.459 local terms energy: -969.849593 where: bonds (distance) C4'-P energy: -172.323 bonds (distance) P-C4' energy: -172.507 flat angles C4'-P-C4' energy: -213.879 flat angles P-C4'-P energy: -130.767 tors. eta vs tors. theta energy: -280.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -3247.578704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.578704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.578704 (E_RNA) where: Base-Base interactions energy: -2271.459 where: short stacking energy: -929.932 Base-Backbone interact. energy: 0.612 local terms energy: -976.731865 where: bonds (distance) C4'-P energy: -176.604 bonds (distance) P-C4' energy: -194.660 flat angles C4'-P-C4' energy: -207.774 flat angles P-C4'-P energy: -143.395 tors. eta vs tors. theta energy: -254.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -3152.094821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.094821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.094821 (E_RNA) where: Base-Base interactions energy: -2263.083 where: short stacking energy: -884.667 Base-Backbone interact. energy: -2.598 local terms energy: -886.413144 where: bonds (distance) C4'-P energy: -153.678 bonds (distance) P-C4' energy: -188.430 flat angles C4'-P-C4' energy: -194.451 flat angles P-C4'-P energy: -109.039 tors. eta vs tors. theta energy: -240.815 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: 54 Temperature: 1.050000 Total energy: -3112.861007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.861007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.861007 (E_RNA) where: Base-Base interactions energy: -2214.215 where: short stacking energy: -877.905 Base-Backbone interact. energy: -2.005 local terms energy: -896.640801 where: bonds (distance) C4'-P energy: -160.809 bonds (distance) P-C4' energy: -177.824 flat angles C4'-P-C4' energy: -199.516 flat angles P-C4'-P energy: -116.253 tors. eta vs tors. theta energy: -242.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -3021.043874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.043874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.043874 (E_RNA) where: Base-Base interactions energy: -2150.569 where: short stacking energy: -856.320 Base-Backbone interact. energy: -2.404 local terms energy: -868.070236 where: bonds (distance) C4'-P energy: -158.162 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -197.594 flat angles P-C4'-P energy: -118.542 tors. eta vs tors. theta energy: -227.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2839.961124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.961124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.961124 (E_RNA) where: Base-Base interactions energy: -1989.020 where: short stacking energy: -791.308 Base-Backbone interact. energy: -1.540 local terms energy: -849.401754 where: bonds (distance) C4'-P energy: -168.943 bonds (distance) P-C4' energy: -155.752 flat angles C4'-P-C4' energy: -188.594 flat angles P-C4'-P energy: -125.746 tors. eta vs tors. theta energy: -210.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -2581.530148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.530148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.530148 (E_RNA) where: Base-Base interactions energy: -1777.096 where: short stacking energy: -761.033 Base-Backbone interact. energy: -0.782 local terms energy: -803.651939 where: bonds (distance) C4'-P energy: -156.736 bonds (distance) P-C4' energy: -147.140 flat angles C4'-P-C4' energy: -172.458 flat angles P-C4'-P energy: -124.406 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: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -2540.291128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.291128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.291128 (E_RNA) where: Base-Base interactions energy: -1791.721 where: short stacking energy: -738.291 Base-Backbone interact. energy: 7.237 local terms energy: -755.807031 where: bonds (distance) C4'-P energy: -129.124 bonds (distance) P-C4' energy: -147.459 flat angles C4'-P-C4' energy: -178.565 flat angles P-C4'-P energy: -94.680 tors. eta vs tors. theta energy: -205.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -2074.444230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.444230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.444230 (E_RNA) where: Base-Base interactions energy: -1396.644 where: short stacking energy: -559.764 Base-Backbone interact. energy: -1.128 local terms energy: -676.671713 where: bonds (distance) C4'-P energy: -132.317 bonds (distance) P-C4' energy: -159.513 flat angles C4'-P-C4' energy: -174.612 flat angles P-C4'-P energy: -85.310 tors. eta vs tors. theta energy: -124.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1518.383628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.383628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.383628 (E_RNA) where: Base-Base interactions energy: -951.778 where: short stacking energy: -439.763 Base-Backbone interact. energy: 9.510 local terms energy: -576.115402 where: bonds (distance) C4'-P energy: -142.390 bonds (distance) P-C4' energy: -145.137 flat angles C4'-P-C4' energy: -151.021 flat angles P-C4'-P energy: -68.275 tors. eta vs tors. theta energy: -69.293 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: 10 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -3470.606509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3470.606509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3470.606509 (E_RNA) where: Base-Base interactions energy: -2473.870 where: short stacking energy: -992.430 Base-Backbone interact. energy: -2.547 local terms energy: -994.189781 where: bonds (distance) C4'-P energy: -185.106 bonds (distance) P-C4' energy: -190.695 flat angles C4'-P-C4' energy: -210.476 flat angles P-C4'-P energy: -136.060 tors. eta vs tors. theta energy: -271.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -3258.819985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.819985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.819985 (E_RNA) where: Base-Base interactions energy: -2319.309 where: short stacking energy: -917.147 Base-Backbone interact. energy: 1.835 local terms energy: -941.345496 where: bonds (distance) C4'-P energy: -173.265 bonds (distance) P-C4' energy: -190.251 flat angles C4'-P-C4' energy: -209.511 flat angles P-C4'-P energy: -121.366 tors. eta vs tors. theta energy: -246.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -3189.451267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.451267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.451267 (E_RNA) where: Base-Base interactions energy: -2258.630 where: short stacking energy: -904.682 Base-Backbone interact. energy: -2.356 local terms energy: -928.465289 where: bonds (distance) C4'-P energy: -172.919 bonds (distance) P-C4' energy: -185.006 flat angles C4'-P-C4' energy: -205.575 flat angles P-C4'-P energy: -131.421 tors. eta vs tors. theta energy: -233.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -3094.548855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.548855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.548855 (E_RNA) where: Base-Base interactions energy: -2223.281 where: short stacking energy: -868.655 Base-Backbone interact. energy: 2.890 local terms energy: -874.157945 where: bonds (distance) C4'-P energy: -171.036 bonds (distance) P-C4' energy: -176.691 flat angles C4'-P-C4' energy: -185.402 flat angles P-C4'-P energy: -116.380 tors. eta vs tors. theta energy: -224.649 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: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -3030.232660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.232660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.232660 (E_RNA) where: Base-Base interactions energy: -2156.819 where: short stacking energy: -873.758 Base-Backbone interact. energy: -1.005 local terms energy: -872.408902 where: bonds (distance) C4'-P energy: -174.226 bonds (distance) P-C4' energy: -168.602 flat angles C4'-P-C4' energy: -187.201 flat angles P-C4'-P energy: -102.546 tors. eta vs tors. theta energy: -239.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2871.613267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.613267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.613267 (E_RNA) where: Base-Base interactions energy: -2024.771 where: short stacking energy: -824.490 Base-Backbone interact. energy: -2.080 local terms energy: -844.762585 where: bonds (distance) C4'-P energy: -145.008 bonds (distance) P-C4' energy: -171.578 flat angles C4'-P-C4' energy: -181.175 flat angles P-C4'-P energy: -124.766 tors. eta vs tors. theta energy: -222.235 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: 55 Temperature: 1.200000 Total energy: -2577.382724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.382724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.382724 (E_RNA) where: Base-Base interactions energy: -1807.108 where: short stacking energy: -729.762 Base-Backbone interact. energy: -1.628 local terms energy: -768.646795 where: bonds (distance) C4'-P energy: -143.117 bonds (distance) P-C4' energy: -153.941 flat angles C4'-P-C4' energy: -163.493 flat angles P-C4'-P energy: -114.143 tors. eta vs tors. theta energy: -193.953 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: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -2513.299965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.299965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.299965 (E_RNA) where: Base-Base interactions energy: -1703.845 where: short stacking energy: -689.145 Base-Backbone interact. energy: -0.751 local terms energy: -808.703681 where: bonds (distance) C4'-P energy: -143.143 bonds (distance) P-C4' energy: -179.996 flat angles C4'-P-C4' energy: -181.861 flat angles P-C4'-P energy: -120.300 tors. eta vs tors. theta energy: -183.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -2086.287304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.287304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.287304 (E_RNA) where: Base-Base interactions energy: -1373.374 where: short stacking energy: -589.056 Base-Backbone interact. energy: -3.287 local terms energy: -709.626571 where: bonds (distance) C4'-P energy: -136.364 bonds (distance) P-C4' energy: -159.930 flat angles C4'-P-C4' energy: -174.011 flat angles P-C4'-P energy: -97.337 tors. eta vs tors. theta energy: -141.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1552.080755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.080755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.080755 (E_RNA) where: Base-Base interactions energy: -971.724 where: short stacking energy: -433.081 Base-Backbone interact. energy: 0.137 local terms energy: -580.493274 where: bonds (distance) C4'-P energy: -139.614 bonds (distance) P-C4' energy: -161.531 flat angles C4'-P-C4' energy: -139.876 flat angles P-C4'-P energy: -86.180 tors. eta vs tors. theta energy: -53.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -3490.606991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3490.606991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3490.606991 (E_RNA) where: Base-Base interactions energy: -2483.519 where: short stacking energy: -999.155 Base-Backbone interact. energy: -4.802 local terms energy: -1002.286067 where: bonds (distance) C4'-P energy: -189.240 bonds (distance) P-C4' energy: -182.160 flat angles C4'-P-C4' energy: -232.138 flat angles P-C4'-P energy: -131.796 tors. eta vs tors. theta energy: -266.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -3291.553499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.553499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.553499 (E_RNA) where: Base-Base interactions energy: -2366.028 where: short stacking energy: -948.779 Base-Backbone interact. energy: -0.549 local terms energy: -924.976635 where: bonds (distance) C4'-P energy: -160.779 bonds (distance) P-C4' energy: -175.089 flat angles C4'-P-C4' energy: -214.604 flat angles P-C4'-P energy: -125.344 tors. eta vs tors. theta energy: -249.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -3240.079315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.079315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.079315 (E_RNA) where: Base-Base interactions energy: -2315.594 where: short stacking energy: -896.823 Base-Backbone interact. energy: -2.832 local terms energy: -921.653218 where: bonds (distance) C4'-P energy: -181.381 bonds (distance) P-C4' energy: -171.764 flat angles C4'-P-C4' energy: -200.435 flat angles P-C4'-P energy: -123.062 tors. eta vs tors. theta energy: -245.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -3085.033655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.033655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.033655 (E_RNA) where: Base-Base interactions energy: -2182.123 where: short stacking energy: -865.738 Base-Backbone interact. energy: -0.259 local terms energy: -902.651968 where: bonds (distance) C4'-P energy: -178.004 bonds (distance) P-C4' energy: -163.344 flat angles C4'-P-C4' energy: -198.047 flat angles P-C4'-P energy: -116.365 tors. eta vs tors. theta energy: -246.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -3032.044736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.044736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.044736 (E_RNA) where: Base-Base interactions energy: -2137.842 where: short stacking energy: -848.692 Base-Backbone interact. energy: -0.955 local terms energy: -893.248342 where: bonds (distance) C4'-P energy: -165.308 bonds (distance) P-C4' energy: -173.577 flat angles C4'-P-C4' energy: -177.573 flat angles P-C4'-P energy: -141.658 tors. eta vs tors. theta energy: -235.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2937.006354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.006354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.006354 (E_RNA) where: Base-Base interactions energy: -2085.973 where: short stacking energy: -853.865 Base-Backbone interact. energy: 0.492 local terms energy: -851.524889 where: bonds (distance) C4'-P energy: -155.277 bonds (distance) P-C4' energy: -150.461 flat angles C4'-P-C4' energy: -192.658 flat angles P-C4'-P energy: -118.070 tors. eta vs tors. theta energy: -235.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -2629.471475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.471475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.471475 (E_RNA) where: Base-Base interactions energy: -1845.744 where: short stacking energy: -748.487 Base-Backbone interact. energy: -0.467 local terms energy: -783.259808 where: bonds (distance) C4'-P energy: -121.792 bonds (distance) P-C4' energy: -149.165 flat angles C4'-P-C4' energy: -184.165 flat angles P-C4'-P energy: -120.143 tors. eta vs tors. theta energy: -207.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -2545.913120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.913120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.913120 (E_RNA) where: Base-Base interactions energy: -1822.995 where: short stacking energy: -755.960 Base-Backbone interact. energy: -1.480 local terms energy: -721.438111 where: bonds (distance) C4'-P energy: -131.681 bonds (distance) P-C4' energy: -131.439 flat angles C4'-P-C4' energy: -168.773 flat angles P-C4'-P energy: -83.965 tors. eta vs tors. theta energy: -205.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -2049.086680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.086680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.086680 (E_RNA) where: Base-Base interactions energy: -1390.877 where: short stacking energy: -574.192 Base-Backbone interact. energy: 0.386 local terms energy: -658.595522 where: bonds (distance) C4'-P energy: -139.208 bonds (distance) P-C4' energy: -138.932 flat angles C4'-P-C4' energy: -147.504 flat angles P-C4'-P energy: -103.897 tors. eta vs tors. theta energy: -129.055 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: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1701.490462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.490462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.490462 (E_RNA) where: Base-Base interactions energy: -1097.875 where: short stacking energy: -482.557 Base-Backbone interact. energy: -2.475 local terms energy: -601.140910 where: bonds (distance) C4'-P energy: -121.283 bonds (distance) P-C4' energy: -156.650 flat angles C4'-P-C4' energy: -146.275 flat angles P-C4'-P energy: -99.060 tors. eta vs tors. theta energy: -77.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -3482.515386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.515386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.515386 (E_RNA) where: Base-Base interactions energy: -2469.368 where: short stacking energy: -987.434 Base-Backbone interact. energy: -1.310 local terms energy: -1011.837088 where: bonds (distance) C4'-P energy: -181.746 bonds (distance) P-C4' energy: -194.276 flat angles C4'-P-C4' energy: -214.958 flat angles P-C4'-P energy: -145.742 tors. eta vs tors. theta energy: -275.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -3243.402808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.402808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.402808 (E_RNA) where: Base-Base interactions energy: -2304.075 where: short stacking energy: -917.207 Base-Backbone interact. energy: -0.995 local terms energy: -938.332776 where: bonds (distance) C4'-P energy: -180.345 bonds (distance) P-C4' energy: -173.176 flat angles C4'-P-C4' energy: -207.418 flat angles P-C4'-P energy: -130.593 tors. eta vs tors. theta energy: -246.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -3198.673124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.673124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.673124 (E_RNA) where: Base-Base interactions energy: -2324.859 where: short stacking energy: -910.948 Base-Backbone interact. energy: 3.715 local terms energy: -877.528893 where: bonds (distance) C4'-P energy: -158.181 bonds (distance) P-C4' energy: -168.020 flat angles C4'-P-C4' energy: -196.061 flat angles P-C4'-P energy: -128.552 tors. eta vs tors. theta energy: -226.714 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: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -3139.992648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.992648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.992648 (E_RNA) where: Base-Base interactions energy: -2224.200 where: short stacking energy: -899.225 Base-Backbone interact. energy: 6.326 local terms energy: -922.118990 where: bonds (distance) C4'-P energy: -162.388 bonds (distance) P-C4' energy: -176.755 flat angles C4'-P-C4' energy: -192.129 flat angles P-C4'-P energy: -146.156 tors. eta vs tors. theta energy: -244.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -3045.790015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.790015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.790015 (E_RNA) where: Base-Base interactions energy: -2192.583 where: short stacking energy: -841.801 Base-Backbone interact. energy: -1.007 local terms energy: -852.200061 where: bonds (distance) C4'-P energy: -177.342 bonds (distance) P-C4' energy: -155.252 flat angles C4'-P-C4' energy: -173.374 flat angles P-C4'-P energy: -117.787 tors. eta vs tors. theta energy: -228.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2977.421487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.421487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.421487 (E_RNA) where: Base-Base interactions energy: -2115.674 where: short stacking energy: -851.247 Base-Backbone interact. energy: 1.290 local terms energy: -863.037408 where: bonds (distance) C4'-P energy: -158.149 bonds (distance) P-C4' energy: -154.961 flat angles C4'-P-C4' energy: -177.310 flat angles P-C4'-P energy: -139.155 tors. eta vs tors. theta energy: -233.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -2643.791957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.791957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.791957 (E_RNA) where: Base-Base interactions energy: -1848.441 where: short stacking energy: -765.348 Base-Backbone interact. energy: -0.053 local terms energy: -795.297635 where: bonds (distance) C4'-P energy: -146.143 bonds (distance) P-C4' energy: -163.114 flat angles C4'-P-C4' energy: -175.717 flat angles P-C4'-P energy: -117.782 tors. eta vs tors. theta energy: -192.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -2663.393069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.393069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.393069 (E_RNA) where: Base-Base interactions energy: -1842.247 where: short stacking energy: -765.035 Base-Backbone interact. energy: -1.373 local terms energy: -819.772359 where: bonds (distance) C4'-P energy: -169.615 bonds (distance) P-C4' energy: -158.418 flat angles C4'-P-C4' energy: -184.958 flat angles P-C4'-P energy: -108.046 tors. eta vs tors. theta energy: -198.736 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -2042.678438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.678438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.678438 (E_RNA) where: Base-Base interactions energy: -1381.377 where: short stacking energy: -584.710 Base-Backbone interact. energy: 0.531 local terms energy: -661.831997 where: bonds (distance) C4'-P energy: -133.235 bonds (distance) P-C4' energy: -164.229 flat angles C4'-P-C4' energy: -155.876 flat angles P-C4'-P energy: -77.747 tors. eta vs tors. theta energy: -130.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1649.269760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.269760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.269760 (E_RNA) where: Base-Base interactions energy: -1074.891 where: short stacking energy: -465.379 Base-Backbone interact. energy: 0.912 local terms energy: -575.290822 where: bonds (distance) C4'-P energy: -145.386 bonds (distance) P-C4' energy: -135.712 flat angles C4'-P-C4' energy: -137.724 flat angles P-C4'-P energy: -74.962 tors. eta vs tors. theta energy: -81.508 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: 10 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -3486.924952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3486.924952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3486.924952 (E_RNA) where: Base-Base interactions energy: -2518.375 where: short stacking energy: -1010.523 Base-Backbone interact. energy: -2.519 local terms energy: -966.030340 where: bonds (distance) C4'-P energy: -167.616 bonds (distance) P-C4' energy: -169.149 flat angles C4'-P-C4' energy: -217.450 flat angles P-C4'-P energy: -145.182 tors. eta vs tors. theta energy: -266.634 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: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -3275.506715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.506715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.506715 (E_RNA) where: Base-Base interactions energy: -2306.416 where: short stacking energy: -937.306 Base-Backbone interact. energy: -3.005 local terms energy: -966.085069 where: bonds (distance) C4'-P energy: -172.004 bonds (distance) P-C4' energy: -175.809 flat angles C4'-P-C4' energy: -218.587 flat angles P-C4'-P energy: -139.398 tors. eta vs tors. theta energy: -260.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -3214.433723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.433723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.433723 (E_RNA) where: Base-Base interactions energy: -2300.019 where: short stacking energy: -909.971 Base-Backbone interact. energy: -3.023 local terms energy: -911.391405 where: bonds (distance) C4'-P energy: -165.497 bonds (distance) P-C4' energy: -173.696 flat angles C4'-P-C4' energy: -202.756 flat angles P-C4'-P energy: -135.302 tors. eta vs tors. theta energy: -234.140 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: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -3137.779400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.779400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.779400 (E_RNA) where: Base-Base interactions energy: -2197.014 where: short stacking energy: -894.904 Base-Backbone interact. energy: 3.733 local terms energy: -944.497974 where: bonds (distance) C4'-P energy: -172.077 bonds (distance) P-C4' energy: -193.709 flat angles C4'-P-C4' energy: -207.204 flat angles P-C4'-P energy: -129.466 tors. eta vs tors. theta energy: -242.042 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: 58 Temperature: 1.100000 Total energy: -3083.777017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.777017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.777017 (E_RNA) where: Base-Base interactions energy: -2205.938 where: short stacking energy: -875.212 Base-Backbone interact. energy: -0.745 local terms energy: -877.094855 where: bonds (distance) C4'-P energy: -152.082 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -196.549 flat angles P-C4'-P energy: -129.143 tors. eta vs tors. theta energy: -249.626 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: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2970.946841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.946841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.946841 (E_RNA) where: Base-Base interactions energy: -2114.614 where: short stacking energy: -867.133 Base-Backbone interact. energy: -0.865 local terms energy: -855.467668 where: bonds (distance) C4'-P energy: -156.977 bonds (distance) P-C4' energy: -172.248 flat angles C4'-P-C4' energy: -182.655 flat angles P-C4'-P energy: -106.587 tors. eta vs tors. theta energy: -237.001 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: 58 Temperature: 1.200000 Total energy: -2698.450941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.450941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.450941 (E_RNA) where: Base-Base interactions energy: -1915.106 where: short stacking energy: -780.398 Base-Backbone interact. energy: 5.054 local terms energy: -788.398243 where: bonds (distance) C4'-P energy: -135.164 bonds (distance) P-C4' energy: -157.493 flat angles C4'-P-C4' energy: -175.170 flat angles P-C4'-P energy: -111.282 tors. eta vs tors. theta energy: -209.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -2562.047850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.047850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.047850 (E_RNA) where: Base-Base interactions energy: -1773.719 where: short stacking energy: -711.157 Base-Backbone interact. energy: 0.919 local terms energy: -789.248515 where: bonds (distance) C4'-P energy: -144.586 bonds (distance) P-C4' energy: -163.813 flat angles C4'-P-C4' energy: -171.426 flat angles P-C4'-P energy: -111.165 tors. eta vs tors. theta energy: -198.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -2056.686416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.686416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.686416 (E_RNA) where: Base-Base interactions energy: -1375.295 where: short stacking energy: -567.670 Base-Backbone interact. energy: 6.191 local terms energy: -687.582333 where: bonds (distance) C4'-P energy: -134.005 bonds (distance) P-C4' energy: -147.835 flat angles C4'-P-C4' energy: -178.020 flat angles P-C4'-P energy: -90.013 tors. eta vs tors. theta energy: -137.710 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: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1724.171707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.171707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.171707 (E_RNA) where: Base-Base interactions energy: -1128.406 where: short stacking energy: -498.211 Base-Backbone interact. energy: 1.987 local terms energy: -597.752646 where: bonds (distance) C4'-P energy: -132.259 bonds (distance) P-C4' energy: -141.022 flat angles C4'-P-C4' energy: -150.503 flat angles P-C4'-P energy: -70.852 tors. eta vs tors. theta energy: -103.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -3462.570007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.570007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.570007 (E_RNA) where: Base-Base interactions energy: -2467.119 where: short stacking energy: -988.576 Base-Backbone interact. energy: -0.158 local terms energy: -995.292845 where: bonds (distance) C4'-P energy: -174.860 bonds (distance) P-C4' energy: -187.228 flat angles C4'-P-C4' energy: -215.199 flat angles P-C4'-P energy: -159.739 tors. eta vs tors. theta energy: -258.267 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: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -3281.126093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.126093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.126093 (E_RNA) where: Base-Base interactions energy: -2306.821 where: short stacking energy: -909.533 Base-Backbone interact. energy: -1.494 local terms energy: -972.811821 where: bonds (distance) C4'-P energy: -177.028 bonds (distance) P-C4' energy: -182.979 flat angles C4'-P-C4' energy: -227.735 flat angles P-C4'-P energy: -135.524 tors. eta vs tors. theta energy: -249.545 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: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -3238.194450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.194450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.194450 (E_RNA) where: Base-Base interactions energy: -2301.032 where: short stacking energy: -912.510 Base-Backbone interact. energy: -1.936 local terms energy: -935.226054 where: bonds (distance) C4'-P energy: -184.483 bonds (distance) P-C4' energy: -177.066 flat angles C4'-P-C4' energy: -200.261 flat angles P-C4'-P energy: -137.555 tors. eta vs tors. theta energy: -235.860 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: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -3120.657496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.657496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.657496 (E_RNA) where: Base-Base interactions energy: -2183.514 where: short stacking energy: -893.247 Base-Backbone interact. energy: 1.512 local terms energy: -938.655836 where: bonds (distance) C4'-P energy: -172.697 bonds (distance) P-C4' energy: -183.352 flat angles C4'-P-C4' energy: -200.636 flat angles P-C4'-P energy: -135.762 tors. eta vs tors. theta energy: -246.210 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: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -3014.839938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.839938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.839938 (E_RNA) where: Base-Base interactions energy: -2145.751 where: short stacking energy: -844.637 Base-Backbone interact. energy: -2.439 local terms energy: -866.650292 where: bonds (distance) C4'-P energy: -146.049 bonds (distance) P-C4' energy: -157.198 flat angles C4'-P-C4' energy: -191.705 flat angles P-C4'-P energy: -128.652 tors. eta vs tors. theta energy: -243.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2973.871876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.871876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.871876 (E_RNA) where: Base-Base interactions energy: -2117.314 where: short stacking energy: -807.265 Base-Backbone interact. energy: 2.883 local terms energy: -859.441319 where: bonds (distance) C4'-P energy: -166.168 bonds (distance) P-C4' energy: -179.940 flat angles C4'-P-C4' energy: -187.501 flat angles P-C4'-P energy: -115.308 tors. eta vs tors. theta energy: -210.523 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: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -2634.814424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.814424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.814424 (E_RNA) where: Base-Base interactions energy: -1822.077 where: short stacking energy: -774.436 Base-Backbone interact. energy: -2.455 local terms energy: -810.282010 where: bonds (distance) C4'-P energy: -136.910 bonds (distance) P-C4' energy: -144.446 flat angles C4'-P-C4' energy: -191.494 flat angles P-C4'-P energy: -120.177 tors. eta vs tors. theta energy: -217.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -2605.217177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.217177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.217177 (E_RNA) where: Base-Base interactions energy: -1812.539 where: short stacking energy: -734.280 Base-Backbone interact. energy: -2.126 local terms energy: -790.552229 where: bonds (distance) C4'-P energy: -131.070 bonds (distance) P-C4' energy: -177.454 flat angles C4'-P-C4' energy: -172.614 flat angles P-C4'-P energy: -119.861 tors. eta vs tors. theta energy: -189.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -2077.554261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.554261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.554261 (E_RNA) where: Base-Base interactions energy: -1400.156 where: short stacking energy: -600.854 Base-Backbone interact. energy: -1.101 local terms energy: -676.297201 where: bonds (distance) C4'-P energy: -151.171 bonds (distance) P-C4' energy: -167.072 flat angles C4'-P-C4' energy: -170.641 flat angles P-C4'-P energy: -75.243 tors. eta vs tors. theta energy: -112.170 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: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1763.619180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.619180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.619180 (E_RNA) where: Base-Base interactions energy: -1140.702 where: short stacking energy: -510.581 Base-Backbone interact. energy: -3.243 local terms energy: -619.674765 where: bonds (distance) C4'-P energy: -144.364 bonds (distance) P-C4' energy: -155.089 flat angles C4'-P-C4' energy: -157.489 flat angles P-C4'-P energy: -89.532 tors. eta vs tors. theta energy: -73.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -3479.571567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.571567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.571567 (E_RNA) where: Base-Base interactions energy: -2498.858 where: short stacking energy: -1000.930 Base-Backbone interact. energy: -1.293 local terms energy: -979.420646 where: bonds (distance) C4'-P energy: -177.736 bonds (distance) P-C4' energy: -188.037 flat angles C4'-P-C4' energy: -215.997 flat angles P-C4'-P energy: -129.987 tors. eta vs tors. theta energy: -267.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -3299.399352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.399352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.399352 (E_RNA) where: Base-Base interactions energy: -2351.203 where: short stacking energy: -916.597 Base-Backbone interact. energy: 0.439 local terms energy: -948.635682 where: bonds (distance) C4'-P energy: -178.099 bonds (distance) P-C4' energy: -182.458 flat angles C4'-P-C4' energy: -202.129 flat angles P-C4'-P energy: -136.640 tors. eta vs tors. theta energy: -249.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -3220.993487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.993487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.993487 (E_RNA) where: Base-Base interactions energy: -2341.144 where: short stacking energy: -892.087 Base-Backbone interact. energy: 0.739 local terms energy: -880.588864 where: bonds (distance) C4'-P energy: -163.426 bonds (distance) P-C4' energy: -159.248 flat angles C4'-P-C4' energy: -198.020 flat angles P-C4'-P energy: -123.155 tors. eta vs tors. theta energy: -236.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -3163.103578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.103578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.103578 (E_RNA) where: Base-Base interactions energy: -2221.659 where: short stacking energy: -929.129 Base-Backbone interact. energy: 2.246 local terms energy: -943.690196 where: bonds (distance) C4'-P energy: -165.426 bonds (distance) P-C4' energy: -175.345 flat angles C4'-P-C4' energy: -211.021 flat angles P-C4'-P energy: -133.390 tors. eta vs tors. theta energy: -258.509 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: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2996.686925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.686925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.686925 (E_RNA) where: Base-Base interactions energy: -2110.275 where: short stacking energy: -854.246 Base-Backbone interact. energy: -0.360 local terms energy: -886.051740 where: bonds (distance) C4'-P energy: -166.688 bonds (distance) P-C4' energy: -167.764 flat angles C4'-P-C4' energy: -187.103 flat angles P-C4'-P energy: -130.782 tors. eta vs tors. theta energy: -233.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2971.951349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.951349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.951349 (E_RNA) where: Base-Base interactions energy: -2158.965 where: short stacking energy: -848.724 Base-Backbone interact. energy: -4.038 local terms energy: -808.948289 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -166.971 flat angles C4'-P-C4' energy: -172.381 flat angles P-C4'-P energy: -110.832 tors. eta vs tors. theta energy: -227.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -2644.962497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.962497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.962497 (E_RNA) where: Base-Base interactions energy: -1830.094 where: short stacking energy: -769.105 Base-Backbone interact. energy: -3.076 local terms energy: -811.792622 where: bonds (distance) C4'-P energy: -143.330 bonds (distance) P-C4' energy: -145.583 flat angles C4'-P-C4' energy: -179.938 flat angles P-C4'-P energy: -133.357 tors. eta vs tors. theta energy: -209.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -2617.128598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.128598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.128598 (E_RNA) where: Base-Base interactions energy: -1826.713 where: short stacking energy: -760.592 Base-Backbone interact. energy: 0.371 local terms energy: -790.787054 where: bonds (distance) C4'-P energy: -144.774 bonds (distance) P-C4' energy: -140.157 flat angles C4'-P-C4' energy: -174.072 flat angles P-C4'-P energy: -116.265 tors. eta vs tors. theta energy: -215.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -2127.193785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.193785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.193785 (E_RNA) where: Base-Base interactions energy: -1439.121 where: short stacking energy: -596.297 Base-Backbone interact. energy: 0.519 local terms energy: -688.592117 where: bonds (distance) C4'-P energy: -139.494 bonds (distance) P-C4' energy: -151.962 flat angles C4'-P-C4' energy: -147.276 flat angles P-C4'-P energy: -114.838 tors. eta vs tors. theta energy: -135.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1749.398085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.398085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.398085 (E_RNA) where: Base-Base interactions energy: -1133.928 where: short stacking energy: -502.628 Base-Backbone interact. energy: 4.469 local terms energy: -619.939217 where: bonds (distance) C4'-P energy: -133.639 bonds (distance) P-C4' energy: -150.973 flat angles C4'-P-C4' energy: -138.335 flat angles P-C4'-P energy: -98.211 tors. eta vs tors. theta energy: -98.781 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: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -3512.041489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3512.041489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3512.041489 (E_RNA) where: Base-Base interactions energy: -2525.776 where: short stacking energy: -1013.625 Base-Backbone interact. energy: 2.025 local terms energy: -988.291263 where: bonds (distance) C4'-P energy: -179.933 bonds (distance) P-C4' energy: -190.185 flat angles C4'-P-C4' energy: -212.516 flat angles P-C4'-P energy: -131.326 tors. eta vs tors. theta energy: -274.331 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: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -3311.524479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3311.524479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3311.524479 (E_RNA) where: Base-Base interactions energy: -2367.096 where: short stacking energy: -944.046 Base-Backbone interact. energy: -1.142 local terms energy: -943.286562 where: bonds (distance) C4'-P energy: -175.977 bonds (distance) P-C4' energy: -180.417 flat angles C4'-P-C4' energy: -199.090 flat angles P-C4'-P energy: -130.242 tors. eta vs tors. theta energy: -257.560 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: 6 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -3217.617002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.617002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.617002 (E_RNA) where: Base-Base interactions energy: -2316.614 where: short stacking energy: -913.352 Base-Backbone interact. energy: 1.280 local terms energy: -902.283408 where: bonds (distance) C4'-P energy: -179.573 bonds (distance) P-C4' energy: -158.949 flat angles C4'-P-C4' energy: -193.827 flat angles P-C4'-P energy: -121.814 tors. eta vs tors. theta energy: -248.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -3107.700815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.700815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.700815 (E_RNA) where: Base-Base interactions energy: -2212.702 where: short stacking energy: -897.301 Base-Backbone interact. energy: -0.485 local terms energy: -894.512924 where: bonds (distance) C4'-P energy: -168.309 bonds (distance) P-C4' energy: -170.991 flat angles C4'-P-C4' energy: -192.627 flat angles P-C4'-P energy: -121.591 tors. eta vs tors. theta energy: -240.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2997.574829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.574829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.574829 (E_RNA) where: Base-Base interactions energy: -2121.108 where: short stacking energy: -849.113 Base-Backbone interact. energy: -0.401 local terms energy: -876.065967 where: bonds (distance) C4'-P energy: -158.905 bonds (distance) P-C4' energy: -168.199 flat angles C4'-P-C4' energy: -195.218 flat angles P-C4'-P energy: -115.540 tors. eta vs tors. theta energy: -238.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2964.916906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.916906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.916906 (E_RNA) where: Base-Base interactions energy: -2100.031 where: short stacking energy: -837.268 Base-Backbone interact. energy: -0.441 local terms energy: -864.445346 where: bonds (distance) C4'-P energy: -136.228 bonds (distance) P-C4' energy: -166.194 flat angles C4'-P-C4' energy: -191.266 flat angles P-C4'-P energy: -142.929 tors. eta vs tors. theta energy: -227.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -2673.278269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.278269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.278269 (E_RNA) where: Base-Base interactions energy: -1856.195 where: short stacking energy: -764.104 Base-Backbone interact. energy: -1.623 local terms energy: -815.460088 where: bonds (distance) C4'-P energy: -143.120 bonds (distance) P-C4' energy: -160.426 flat angles C4'-P-C4' energy: -175.956 flat angles P-C4'-P energy: -116.146 tors. eta vs tors. theta energy: -219.811 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: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -2603.357471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.357471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.357471 (E_RNA) where: Base-Base interactions energy: -1827.194 where: short stacking energy: -742.071 Base-Backbone interact. energy: -0.123 local terms energy: -776.040074 where: bonds (distance) C4'-P energy: -150.596 bonds (distance) P-C4' energy: -154.070 flat angles C4'-P-C4' energy: -188.710 flat angles P-C4'-P energy: -86.656 tors. eta vs tors. theta energy: -196.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -2140.113225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.113225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.113225 (E_RNA) where: Base-Base interactions energy: -1429.823 where: short stacking energy: -622.012 Base-Backbone interact. energy: 0.894 local terms energy: -711.184651 where: bonds (distance) C4'-P energy: -135.660 bonds (distance) P-C4' energy: -157.065 flat angles C4'-P-C4' energy: -158.882 flat angles P-C4'-P energy: -104.344 tors. eta vs tors. theta energy: -155.234 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: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1732.815471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.815471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.815471 (E_RNA) where: Base-Base interactions energy: -1126.639 where: short stacking energy: -494.905 Base-Backbone interact. energy: 2.818 local terms energy: -608.993740 where: bonds (distance) C4'-P energy: -143.066 bonds (distance) P-C4' energy: -149.250 flat angles C4'-P-C4' energy: -146.179 flat angles P-C4'-P energy: -81.925 tors. eta vs tors. theta energy: -88.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -3478.080467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3478.080467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3478.080467 (E_RNA) where: Base-Base interactions energy: -2482.644 where: short stacking energy: -995.768 Base-Backbone interact. energy: -2.961 local terms energy: -992.474817 where: bonds (distance) C4'-P energy: -181.629 bonds (distance) P-C4' energy: -182.446 flat angles C4'-P-C4' energy: -210.121 flat angles P-C4'-P energy: -151.971 tors. eta vs tors. theta energy: -266.308 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: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -3323.659615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.659615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.659615 (E_RNA) where: Base-Base interactions energy: -2385.755 where: short stacking energy: -964.901 Base-Backbone interact. energy: -2.007 local terms energy: -935.897741 where: bonds (distance) C4'-P energy: -178.827 bonds (distance) P-C4' energy: -183.149 flat angles C4'-P-C4' energy: -201.253 flat angles P-C4'-P energy: -127.718 tors. eta vs tors. theta energy: -244.950 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: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -3248.838962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.838962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.838962 (E_RNA) where: Base-Base interactions energy: -2359.105 where: short stacking energy: -930.339 Base-Backbone interact. energy: 7.433 local terms energy: -897.167198 where: bonds (distance) C4'-P energy: -175.176 bonds (distance) P-C4' energy: -171.712 flat angles C4'-P-C4' energy: -202.723 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -242.819 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: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -3090.111293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.111293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.111293 (E_RNA) where: Base-Base interactions energy: -2201.271 where: short stacking energy: -868.837 Base-Backbone interact. energy: -2.024 local terms energy: -886.816219 where: bonds (distance) C4'-P energy: -163.902 bonds (distance) P-C4' energy: -166.310 flat angles C4'-P-C4' energy: -200.522 flat angles P-C4'-P energy: -118.859 tors. eta vs tors. theta energy: -237.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -3052.557172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.557172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.557172 (E_RNA) where: Base-Base interactions energy: -2174.843 where: short stacking energy: -860.068 Base-Backbone interact. energy: -1.342 local terms energy: -876.372592 where: bonds (distance) C4'-P energy: -172.946 bonds (distance) P-C4' energy: -163.709 flat angles C4'-P-C4' energy: -176.651 flat angles P-C4'-P energy: -131.019 tors. eta vs tors. theta energy: -232.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2906.099705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.099705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.099705 (E_RNA) where: Base-Base interactions energy: -2056.514 where: short stacking energy: -835.775 Base-Backbone interact. energy: -3.469 local terms energy: -846.116766 where: bonds (distance) C4'-P energy: -170.018 bonds (distance) P-C4' energy: -134.787 flat angles C4'-P-C4' energy: -182.881 flat angles P-C4'-P energy: -128.249 tors. eta vs tors. theta energy: -230.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -2673.313298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.313298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.313298 (E_RNA) where: Base-Base interactions energy: -1820.599 where: short stacking energy: -766.391 Base-Backbone interact. energy: -1.976 local terms energy: -850.737944 where: bonds (distance) C4'-P energy: -148.024 bonds (distance) P-C4' energy: -179.128 flat angles C4'-P-C4' energy: -177.647 flat angles P-C4'-P energy: -113.635 tors. eta vs tors. theta energy: -232.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -2651.059190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.059190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.059190 (E_RNA) where: Base-Base interactions energy: -1848.087 where: short stacking energy: -737.279 Base-Backbone interact. energy: 0.785 local terms energy: -803.757588 where: bonds (distance) C4'-P energy: -157.726 bonds (distance) P-C4' energy: -162.760 flat angles C4'-P-C4' energy: -166.119 flat angles P-C4'-P energy: -114.790 tors. eta vs tors. theta energy: -202.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -2070.470411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.470411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.470411 (E_RNA) where: Base-Base interactions energy: -1395.398 where: short stacking energy: -578.192 Base-Backbone interact. energy: -1.006 local terms energy: -674.066535 where: bonds (distance) C4'-P energy: -143.068 bonds (distance) P-C4' energy: -146.608 flat angles C4'-P-C4' energy: -152.810 flat angles P-C4'-P energy: -88.191 tors. eta vs tors. theta energy: -143.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1819.523532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.523532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.523532 (E_RNA) where: Base-Base interactions energy: -1178.332 where: short stacking energy: -501.532 Base-Backbone interact. energy: 8.420 local terms energy: -649.611242 where: bonds (distance) C4'-P energy: -149.954 bonds (distance) P-C4' energy: -165.321 flat angles C4'-P-C4' energy: -128.139 flat angles P-C4'-P energy: -100.729 tors. eta vs tors. theta energy: -105.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -3483.523761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.523761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.523761 (E_RNA) where: Base-Base interactions energy: -2483.078 where: short stacking energy: -961.086 Base-Backbone interact. energy: -2.446 local terms energy: -997.999140 where: bonds (distance) C4'-P energy: -188.523 bonds (distance) P-C4' energy: -197.575 flat angles C4'-P-C4' energy: -213.439 flat angles P-C4'-P energy: -151.338 tors. eta vs tors. theta energy: -247.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -3351.279743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.279743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.279743 (E_RNA) where: Base-Base interactions energy: -2418.920 where: short stacking energy: -959.474 Base-Backbone interact. energy: 3.509 local terms energy: -935.868948 where: bonds (distance) C4'-P energy: -175.464 bonds (distance) P-C4' energy: -166.778 flat angles C4'-P-C4' energy: -214.299 flat angles P-C4'-P energy: -126.612 tors. eta vs tors. theta energy: -252.716 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: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -3211.630619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.630619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.630619 (E_RNA) where: Base-Base interactions energy: -2293.111 where: short stacking energy: -918.628 Base-Backbone interact. energy: -3.448 local terms energy: -915.070893 where: bonds (distance) C4'-P energy: -177.149 bonds (distance) P-C4' energy: -184.807 flat angles C4'-P-C4' energy: -201.895 flat angles P-C4'-P energy: -109.091 tors. eta vs tors. theta energy: -242.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -3082.118182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.118182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.118182 (E_RNA) where: Base-Base interactions energy: -2156.882 where: short stacking energy: -865.345 Base-Backbone interact. energy: -2.343 local terms energy: -922.893637 where: bonds (distance) C4'-P energy: -167.110 bonds (distance) P-C4' energy: -165.739 flat angles C4'-P-C4' energy: -210.510 flat angles P-C4'-P energy: -128.789 tors. eta vs tors. theta energy: -250.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -3106.593709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.593709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.593709 (E_RNA) where: Base-Base interactions energy: -2195.422 where: short stacking energy: -901.147 Base-Backbone interact. energy: -2.076 local terms energy: -909.095524 where: bonds (distance) C4'-P energy: -151.951 bonds (distance) P-C4' energy: -154.588 flat angles C4'-P-C4' energy: -213.658 flat angles P-C4'-P energy: -125.709 tors. eta vs tors. theta energy: -263.190 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: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2988.410662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.410662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.410662 (E_RNA) where: Base-Base interactions energy: -2106.674 where: short stacking energy: -812.149 Base-Backbone interact. energy: -0.540 local terms energy: -881.196209 where: bonds (distance) C4'-P energy: -175.590 bonds (distance) P-C4' energy: -166.582 flat angles C4'-P-C4' energy: -195.955 flat angles P-C4'-P energy: -113.908 tors. eta vs tors. theta energy: -229.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -2746.804116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.804116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.804116 (E_RNA) where: Base-Base interactions energy: -1952.021 where: short stacking energy: -810.089 Base-Backbone interact. energy: -2.309 local terms energy: -792.474495 where: bonds (distance) C4'-P energy: -128.171 bonds (distance) P-C4' energy: -165.848 flat angles C4'-P-C4' energy: -187.097 flat angles P-C4'-P energy: -81.547 tors. eta vs tors. theta energy: -229.811 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: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -2617.565533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.565533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.565533 (E_RNA) where: Base-Base interactions energy: -1833.654 where: short stacking energy: -740.526 Base-Backbone interact. energy: 1.184 local terms energy: -785.095265 where: bonds (distance) C4'-P energy: -135.286 bonds (distance) P-C4' energy: -153.809 flat angles C4'-P-C4' energy: -194.428 flat angles P-C4'-P energy: -96.517 tors. eta vs tors. theta energy: -205.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -2032.185012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.185012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.185012 (E_RNA) where: Base-Base interactions energy: -1333.850 where: short stacking energy: -585.081 Base-Backbone interact. energy: 1.979 local terms energy: -700.313406 where: bonds (distance) C4'-P energy: -158.701 bonds (distance) P-C4' energy: -142.651 flat angles C4'-P-C4' energy: -165.669 flat angles P-C4'-P energy: -92.212 tors. eta vs tors. theta energy: -141.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1872.025830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.025830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.025830 (E_RNA) where: Base-Base interactions energy: -1243.373 where: short stacking energy: -552.697 Base-Backbone interact. energy: 3.069 local terms energy: -631.721991 where: bonds (distance) C4'-P energy: -146.305 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -136.937 flat angles P-C4'-P energy: -102.820 tors. eta vs tors. theta energy: -105.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -3503.693010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3503.693010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3503.693010 (E_RNA) where: Base-Base interactions energy: -2531.832 where: short stacking energy: -1016.711 Base-Backbone interact. energy: -2.430 local terms energy: -969.431268 where: bonds (distance) C4'-P energy: -163.348 bonds (distance) P-C4' energy: -178.251 flat angles C4'-P-C4' energy: -211.478 flat angles P-C4'-P energy: -141.163 tors. eta vs tors. theta energy: -275.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -3366.466068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3366.466068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3366.466068 (E_RNA) where: Base-Base interactions energy: -2404.992 where: short stacking energy: -972.200 Base-Backbone interact. energy: -1.693 local terms energy: -959.781394 where: bonds (distance) C4'-P energy: -190.937 bonds (distance) P-C4' energy: -172.841 flat angles C4'-P-C4' energy: -201.694 flat angles P-C4'-P energy: -129.521 tors. eta vs tors. theta energy: -264.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -3154.262265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.262265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.262265 (E_RNA) where: Base-Base interactions energy: -2213.004 where: short stacking energy: -891.297 Base-Backbone interact. energy: -0.078 local terms energy: -941.180214 where: bonds (distance) C4'-P energy: -167.368 bonds (distance) P-C4' energy: -175.478 flat angles C4'-P-C4' energy: -205.593 flat angles P-C4'-P energy: -140.316 tors. eta vs tors. theta energy: -252.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -3175.929207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.929207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.929207 (E_RNA) where: Base-Base interactions energy: -2279.870 where: short stacking energy: -890.806 Base-Backbone interact. energy: -4.955 local terms energy: -891.103837 where: bonds (distance) C4'-P energy: -179.145 bonds (distance) P-C4' energy: -172.146 flat angles C4'-P-C4' energy: -184.420 flat angles P-C4'-P energy: -113.140 tors. eta vs tors. theta energy: -242.253 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: 64 Temperature: 1.100000 Total energy: -3179.700818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.700818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.700818 (E_RNA) where: Base-Base interactions energy: -2215.487 where: short stacking energy: -906.660 Base-Backbone interact. energy: -0.781 local terms energy: -963.432539 where: bonds (distance) C4'-P energy: -174.247 bonds (distance) P-C4' energy: -187.257 flat angles C4'-P-C4' energy: -208.784 flat angles P-C4'-P energy: -131.260 tors. eta vs tors. theta energy: -261.885 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: 8 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -3053.915472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.915472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.915472 (E_RNA) where: Base-Base interactions energy: -2172.300 where: short stacking energy: -859.504 Base-Backbone interact. energy: 0.874 local terms energy: -882.488902 where: bonds (distance) C4'-P energy: -163.354 bonds (distance) P-C4' energy: -165.348 flat angles C4'-P-C4' energy: -189.447 flat angles P-C4'-P energy: -120.527 tors. eta vs tors. theta energy: -243.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -2728.851682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.851682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.851682 (E_RNA) where: Base-Base interactions energy: -1912.797 where: short stacking energy: -784.897 Base-Backbone interact. energy: 1.521 local terms energy: -817.576475 where: bonds (distance) C4'-P energy: -142.233 bonds (distance) P-C4' energy: -142.333 flat angles C4'-P-C4' energy: -193.249 flat angles P-C4'-P energy: -124.304 tors. eta vs tors. theta energy: -215.458 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: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -2671.024468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.024468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.024468 (E_RNA) where: Base-Base interactions energy: -1863.699 where: short stacking energy: -746.606 Base-Backbone interact. energy: -1.958 local terms energy: -805.367197 where: bonds (distance) C4'-P energy: -148.635 bonds (distance) P-C4' energy: -159.881 flat angles C4'-P-C4' energy: -186.950 flat angles P-C4'-P energy: -112.381 tors. eta vs tors. theta energy: -197.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -2009.823473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.823473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.823473 (E_RNA) where: Base-Base interactions energy: -1343.917 where: short stacking energy: -570.621 Base-Backbone interact. energy: 1.328 local terms energy: -667.234238 where: bonds (distance) C4'-P energy: -143.044 bonds (distance) P-C4' energy: -150.614 flat angles C4'-P-C4' energy: -148.270 flat angles P-C4'-P energy: -103.555 tors. eta vs tors. theta energy: -121.751 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: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1798.713342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.713342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.713342 (E_RNA) where: Base-Base interactions energy: -1213.614 where: short stacking energy: -511.439 Base-Backbone interact. energy: -0.483 local terms energy: -584.615515 where: bonds (distance) C4'-P energy: -131.745 bonds (distance) P-C4' energy: -116.272 flat angles C4'-P-C4' energy: -152.354 flat angles P-C4'-P energy: -81.680 tors. eta vs tors. theta energy: -102.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -3496.122827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3496.122827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3496.122827 (E_RNA) where: Base-Base interactions energy: -2534.255 where: short stacking energy: -1003.558 Base-Backbone interact. energy: -2.145 local terms energy: -959.723179 where: bonds (distance) C4'-P energy: -175.666 bonds (distance) P-C4' energy: -178.286 flat angles C4'-P-C4' energy: -208.891 flat angles P-C4'-P energy: -134.632 tors. eta vs tors. theta energy: -262.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -3372.712753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3372.712753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3372.712753 (E_RNA) where: Base-Base interactions energy: -2408.352 where: short stacking energy: -957.831 Base-Backbone interact. energy: -1.264 local terms energy: -963.096397 where: bonds (distance) C4'-P energy: -178.698 bonds (distance) P-C4' energy: -181.264 flat angles C4'-P-C4' energy: -201.798 flat angles P-C4'-P energy: -136.933 tors. eta vs tors. theta energy: -264.405 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: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -3205.136393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.136393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.136393 (E_RNA) where: Base-Base interactions energy: -2274.573 where: short stacking energy: -927.205 Base-Backbone interact. energy: -3.247 local terms energy: -927.316554 where: bonds (distance) C4'-P energy: -171.941 bonds (distance) P-C4' energy: -172.090 flat angles C4'-P-C4' energy: -202.759 flat angles P-C4'-P energy: -139.367 tors. eta vs tors. theta energy: -241.159 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: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -3256.823520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.823520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.823520 (E_RNA) where: Base-Base interactions energy: -2336.200 where: short stacking energy: -948.400 Base-Backbone interact. energy: 1.090 local terms energy: -921.713568 where: bonds (distance) C4'-P energy: -150.475 bonds (distance) P-C4' energy: -175.687 flat angles C4'-P-C4' energy: -205.854 flat angles P-C4'-P energy: -132.281 tors. eta vs tors. theta energy: -257.417 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: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -3074.098616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.098616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.098616 (E_RNA) where: Base-Base interactions energy: -2215.327 where: short stacking energy: -875.636 Base-Backbone interact. energy: -3.367 local terms energy: -855.404216 where: bonds (distance) C4'-P energy: -148.638 bonds (distance) P-C4' energy: -170.125 flat angles C4'-P-C4' energy: -196.135 flat angles P-C4'-P energy: -91.562 tors. eta vs tors. theta energy: -248.944 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: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -3042.737329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.737329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.737329 (E_RNA) where: Base-Base interactions energy: -2180.895 where: short stacking energy: -842.085 Base-Backbone interact. energy: -1.215 local terms energy: -860.627457 where: bonds (distance) C4'-P energy: -173.150 bonds (distance) P-C4' energy: -165.186 flat angles C4'-P-C4' energy: -179.522 flat angles P-C4'-P energy: -105.299 tors. eta vs tors. theta energy: -237.470 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -2657.439011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.439011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.439011 (E_RNA) where: Base-Base interactions energy: -1867.648 where: short stacking energy: -769.245 Base-Backbone interact. energy: 6.975 local terms energy: -796.765628 where: bonds (distance) C4'-P energy: -151.949 bonds (distance) P-C4' energy: -155.075 flat angles C4'-P-C4' energy: -171.862 flat angles P-C4'-P energy: -119.074 tors. eta vs tors. theta energy: -198.806 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: 9 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -2645.789895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.789895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.789895 (E_RNA) where: Base-Base interactions energy: -1832.870 where: short stacking energy: -734.034 Base-Backbone interact. energy: -2.831 local terms energy: -810.088506 where: bonds (distance) C4'-P energy: -140.624 bonds (distance) P-C4' energy: -167.071 flat angles C4'-P-C4' energy: -179.642 flat angles P-C4'-P energy: -113.987 tors. eta vs tors. theta energy: -208.766 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: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1978.567355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.567355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.567355 (E_RNA) where: Base-Base interactions energy: -1310.591 where: short stacking energy: -559.201 Base-Backbone interact. energy: 0.770 local terms energy: -668.746060 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -171.609 flat angles C4'-P-C4' energy: -142.833 flat angles P-C4'-P energy: -86.072 tors. eta vs tors. theta energy: -122.222 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: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1753.910720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.910720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.910720 (E_RNA) where: Base-Base interactions energy: -1139.329 where: short stacking energy: -509.431 Base-Backbone interact. energy: 10.151 local terms energy: -624.732391 where: bonds (distance) C4'-P energy: -116.799 bonds (distance) P-C4' energy: -135.058 flat angles C4'-P-C4' energy: -164.900 flat angles P-C4'-P energy: -98.179 tors. eta vs tors. theta energy: -109.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -3451.083556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3451.083556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3451.083556 (E_RNA) where: Base-Base interactions energy: -2440.694 where: short stacking energy: -944.768 Base-Backbone interact. energy: -1.390 local terms energy: -1009.000209 where: bonds (distance) C4'-P energy: -179.120 bonds (distance) P-C4' energy: -210.424 flat angles C4'-P-C4' energy: -213.192 flat angles P-C4'-P energy: -146.833 tors. eta vs tors. theta energy: -259.431 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -3384.462187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3384.462187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3384.462187 (E_RNA) where: Base-Base interactions energy: -2431.214 where: short stacking energy: -982.481 Base-Backbone interact. energy: -0.196 local terms energy: -953.052098 where: bonds (distance) C4'-P energy: -162.468 bonds (distance) P-C4' energy: -190.048 flat angles C4'-P-C4' energy: -205.482 flat angles P-C4'-P energy: -124.205 tors. eta vs tors. theta energy: -270.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -3220.287242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.287242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.287242 (E_RNA) where: Base-Base interactions energy: -2288.084 where: short stacking energy: -930.955 Base-Backbone interact. energy: 0.470 local terms energy: -932.673580 where: bonds (distance) C4'-P energy: -155.087 bonds (distance) P-C4' energy: -174.482 flat angles C4'-P-C4' energy: -200.401 flat angles P-C4'-P energy: -148.695 tors. eta vs tors. theta energy: -254.009 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: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -3276.934267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.934267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.934267 (E_RNA) where: Base-Base interactions energy: -2355.357 where: short stacking energy: -945.964 Base-Backbone interact. energy: 0.386 local terms energy: -921.962946 where: bonds (distance) C4'-P energy: -163.254 bonds (distance) P-C4' energy: -160.239 flat angles C4'-P-C4' energy: -204.599 flat angles P-C4'-P energy: -125.836 tors. eta vs tors. theta energy: -268.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -3079.792670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.792670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.792670 (E_RNA) where: Base-Base interactions energy: -2222.656 where: short stacking energy: -841.369 Base-Backbone interact. energy: 1.655 local terms energy: -858.791300 where: bonds (distance) C4'-P energy: -160.430 bonds (distance) P-C4' energy: -174.553 flat angles C4'-P-C4' energy: -189.790 flat angles P-C4'-P energy: -109.511 tors. eta vs tors. theta energy: -224.507 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: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2945.365471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.365471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.365471 (E_RNA) where: Base-Base interactions energy: -2099.322 where: short stacking energy: -831.609 Base-Backbone interact. energy: -0.876 local terms energy: -845.167008 where: bonds (distance) C4'-P energy: -159.810 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -171.114 flat angles P-C4'-P energy: -119.235 tors. eta vs tors. theta energy: -240.014 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: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -2760.917841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.917841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.917841 (E_RNA) where: Base-Base interactions energy: -1914.158 where: short stacking energy: -797.278 Base-Backbone interact. energy: -2.015 local terms energy: -844.745094 where: bonds (distance) C4'-P energy: -155.040 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -186.429 flat angles P-C4'-P energy: -120.756 tors. eta vs tors. theta energy: -222.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -2685.065351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.065351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.065351 (E_RNA) where: Base-Base interactions energy: -1877.792 where: short stacking energy: -745.286 Base-Backbone interact. energy: 0.611 local terms energy: -807.884523 where: bonds (distance) C4'-P energy: -146.598 bonds (distance) P-C4' energy: -169.331 flat angles C4'-P-C4' energy: -176.976 flat angles P-C4'-P energy: -112.017 tors. eta vs tors. theta energy: -202.963 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: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1954.177002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.177002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.177002 (E_RNA) where: Base-Base interactions energy: -1305.413 where: short stacking energy: -540.789 Base-Backbone interact. energy: 6.917 local terms energy: -655.681120 where: bonds (distance) C4'-P energy: -140.832 bonds (distance) P-C4' energy: -145.971 flat angles C4'-P-C4' energy: -162.997 flat angles P-C4'-P energy: -91.673 tors. eta vs tors. theta energy: -114.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1679.201554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.201554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.201554 (E_RNA) where: Base-Base interactions energy: -1064.697 where: short stacking energy: -448.182 Base-Backbone interact. energy: 1.024 local terms energy: -615.528716 where: bonds (distance) C4'-P energy: -150.082 bonds (distance) P-C4' energy: -144.464 flat angles C4'-P-C4' energy: -167.020 flat angles P-C4'-P energy: -85.816 tors. eta vs tors. theta energy: -68.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -3483.146448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.146448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.146448 (E_RNA) where: Base-Base interactions energy: -2503.857 where: short stacking energy: -990.237 Base-Backbone interact. energy: -3.562 local terms energy: -975.726790 where: bonds (distance) C4'-P energy: -182.048 bonds (distance) P-C4' energy: -203.133 flat angles C4'-P-C4' energy: -194.375 flat angles P-C4'-P energy: -135.029 tors. eta vs tors. theta energy: -261.141 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: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -3395.972360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3395.972360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3395.972360 (E_RNA) where: Base-Base interactions energy: -2444.025 where: short stacking energy: -976.159 Base-Backbone interact. energy: -0.996 local terms energy: -950.951768 where: bonds (distance) C4'-P energy: -176.559 bonds (distance) P-C4' energy: -187.978 flat angles C4'-P-C4' energy: -198.673 flat angles P-C4'-P energy: -120.846 tors. eta vs tors. theta energy: -266.897 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: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -3220.472328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.472328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.472328 (E_RNA) where: Base-Base interactions energy: -2289.366 where: short stacking energy: -920.689 Base-Backbone interact. energy: -2.877 local terms energy: -928.228638 where: bonds (distance) C4'-P energy: -169.499 bonds (distance) P-C4' energy: -185.454 flat angles C4'-P-C4' energy: -192.884 flat angles P-C4'-P energy: -126.188 tors. eta vs tors. theta energy: -254.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -3290.504893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.504893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.504893 (E_RNA) where: Base-Base interactions energy: -2367.026 where: short stacking energy: -930.631 Base-Backbone interact. energy: -3.279 local terms energy: -920.200316 where: bonds (distance) C4'-P energy: -168.382 bonds (distance) P-C4' energy: -166.820 flat angles C4'-P-C4' energy: -196.293 flat angles P-C4'-P energy: -127.267 tors. eta vs tors. theta energy: -261.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -3098.019785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.019785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.019785 (E_RNA) where: Base-Base interactions energy: -2250.974 where: short stacking energy: -848.337 Base-Backbone interact. energy: 0.849 local terms energy: -847.894986 where: bonds (distance) C4'-P energy: -160.539 bonds (distance) P-C4' energy: -151.383 flat angles C4'-P-C4' energy: -182.053 flat angles P-C4'-P energy: -121.543 tors. eta vs tors. theta energy: -232.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -3037.608798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.608798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.608798 (E_RNA) where: Base-Base interactions energy: -2135.727 where: short stacking energy: -830.157 Base-Backbone interact. energy: 0.248 local terms energy: -902.129823 where: bonds (distance) C4'-P energy: -169.759 bonds (distance) P-C4' energy: -169.629 flat angles C4'-P-C4' energy: -189.408 flat angles P-C4'-P energy: -140.347 tors. eta vs tors. theta energy: -232.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -2782.023207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.023207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.023207 (E_RNA) where: Base-Base interactions energy: -2011.407 where: short stacking energy: -794.831 Base-Backbone interact. energy: -0.617 local terms energy: -769.999704 where: bonds (distance) C4'-P energy: -136.983 bonds (distance) P-C4' energy: -144.743 flat angles C4'-P-C4' energy: -182.764 flat angles P-C4'-P energy: -90.629 tors. eta vs tors. theta energy: -214.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -2662.589648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.589648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.589648 (E_RNA) where: Base-Base interactions energy: -1856.071 where: short stacking energy: -739.258 Base-Backbone interact. energy: -1.785 local terms energy: -804.733156 where: bonds (distance) C4'-P energy: -158.918 bonds (distance) P-C4' energy: -160.857 flat angles C4'-P-C4' energy: -163.159 flat angles P-C4'-P energy: -131.224 tors. eta vs tors. theta energy: -190.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -2000.693348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.693348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.693348 (E_RNA) where: Base-Base interactions energy: -1316.230 where: short stacking energy: -564.582 Base-Backbone interact. energy: 3.175 local terms energy: -687.638228 where: bonds (distance) C4'-P energy: -142.637 bonds (distance) P-C4' energy: -155.266 flat angles C4'-P-C4' energy: -159.191 flat angles P-C4'-P energy: -91.398 tors. eta vs tors. theta energy: -139.146 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: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1754.181798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.181798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.181798 (E_RNA) where: Base-Base interactions energy: -1175.995 where: short stacking energy: -476.754 Base-Backbone interact. energy: 3.385 local terms energy: -581.571369 where: bonds (distance) C4'-P energy: -131.657 bonds (distance) P-C4' energy: -135.041 flat angles C4'-P-C4' energy: -147.248 flat angles P-C4'-P energy: -87.592 tors. eta vs tors. theta energy: -80.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -3483.861924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.861924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.861924 (E_RNA) where: Base-Base interactions energy: -2464.241 where: short stacking energy: -959.018 Base-Backbone interact. energy: -4.157 local terms energy: -1015.464546 where: bonds (distance) C4'-P energy: -196.523 bonds (distance) P-C4' energy: -202.576 flat angles C4'-P-C4' energy: -218.835 flat angles P-C4'-P energy: -150.441 tors. eta vs tors. theta energy: -247.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -3372.158478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3372.158478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3372.158478 (E_RNA) where: Base-Base interactions energy: -2421.530 where: short stacking energy: -962.889 Base-Backbone interact. energy: -2.361 local terms energy: -948.267867 where: bonds (distance) C4'-P energy: -184.117 bonds (distance) P-C4' energy: -170.595 flat angles C4'-P-C4' energy: -193.223 flat angles P-C4'-P energy: -133.622 tors. eta vs tors. theta energy: -266.710 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: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -3395.786460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3395.786460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3395.786460 (E_RNA) where: Base-Base interactions energy: -2424.754 where: short stacking energy: -979.092 Base-Backbone interact. energy: -2.934 local terms energy: -968.097822 where: bonds (distance) C4'-P energy: -173.665 bonds (distance) P-C4' energy: -168.361 flat angles C4'-P-C4' energy: -199.546 flat angles P-C4'-P energy: -146.001 tors. eta vs tors. theta energy: -280.524 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: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -3120.814345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.814345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.814345 (E_RNA) where: Base-Base interactions energy: -2214.391 where: short stacking energy: -881.140 Base-Backbone interact. energy: -4.296 local terms energy: -902.127755 where: bonds (distance) C4'-P energy: -172.348 bonds (distance) P-C4' energy: -173.783 flat angles C4'-P-C4' energy: -174.125 flat angles P-C4'-P energy: -135.309 tors. eta vs tors. theta energy: -246.563 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -3053.493239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.493239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.493239 (E_RNA) where: Base-Base interactions energy: -2181.567 where: short stacking energy: -861.122 Base-Backbone interact. energy: 0.938 local terms energy: -872.864563 where: bonds (distance) C4'-P energy: -176.674 bonds (distance) P-C4' energy: -161.585 flat angles C4'-P-C4' energy: -200.270 flat angles P-C4'-P energy: -118.729 tors. eta vs tors. theta energy: -215.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -3085.653013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.653013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.653013 (E_RNA) where: Base-Base interactions energy: -2179.267 where: short stacking energy: -877.053 Base-Backbone interact. energy: -0.059 local terms energy: -906.327221 where: bonds (distance) C4'-P energy: -160.943 bonds (distance) P-C4' energy: -178.040 flat angles C4'-P-C4' energy: -187.748 flat angles P-C4'-P energy: -123.653 tors. eta vs tors. theta energy: -255.944 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: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -2804.209581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.209581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.209581 (E_RNA) where: Base-Base interactions energy: -1996.743 where: short stacking energy: -828.151 Base-Backbone interact. energy: 3.699 local terms energy: -811.165033 where: bonds (distance) C4'-P energy: -141.957 bonds (distance) P-C4' energy: -168.592 flat angles C4'-P-C4' energy: -175.351 flat angles P-C4'-P energy: -96.337 tors. eta vs tors. theta energy: -228.928 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: 3 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -2673.167460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.167460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.167460 (E_RNA) where: Base-Base interactions energy: -1850.423 where: short stacking energy: -743.797 Base-Backbone interact. energy: -0.730 local terms energy: -822.014798 where: bonds (distance) C4'-P energy: -162.195 bonds (distance) P-C4' energy: -152.902 flat angles C4'-P-C4' energy: -178.209 flat angles P-C4'-P energy: -111.903 tors. eta vs tors. theta energy: -216.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -2062.991931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.991931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.991931 (E_RNA) where: Base-Base interactions energy: -1387.896 where: short stacking energy: -580.577 Base-Backbone interact. energy: -0.005 local terms energy: -675.090789 where: bonds (distance) C4'-P energy: -147.007 bonds (distance) P-C4' energy: -161.647 flat angles C4'-P-C4' energy: -148.954 flat angles P-C4'-P energy: -88.568 tors. eta vs tors. theta energy: -128.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1818.110303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.110303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.110303 (E_RNA) where: Base-Base interactions energy: -1232.692 where: short stacking energy: -528.324 Base-Backbone interact. energy: 1.004 local terms energy: -586.422424 where: bonds (distance) C4'-P energy: -137.750 bonds (distance) P-C4' energy: -120.880 flat angles C4'-P-C4' energy: -161.335 flat angles P-C4'-P energy: -64.648 tors. eta vs tors. theta energy: -101.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -3477.955159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.955159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.955159 (E_RNA) where: Base-Base interactions energy: -2493.788 where: short stacking energy: -992.084 Base-Backbone interact. energy: -4.736 local terms energy: -979.431451 where: bonds (distance) C4'-P energy: -184.880 bonds (distance) P-C4' energy: -192.027 flat angles C4'-P-C4' energy: -204.484 flat angles P-C4'-P energy: -146.090 tors. eta vs tors. theta energy: -251.951 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: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -3439.729393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.729393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.729393 (E_RNA) where: Base-Base interactions energy: -2449.100 where: short stacking energy: -995.559 Base-Backbone interact. energy: -0.705 local terms energy: -989.925285 where: bonds (distance) C4'-P energy: -180.172 bonds (distance) P-C4' energy: -176.866 flat angles C4'-P-C4' energy: -217.962 flat angles P-C4'-P energy: -136.380 tors. eta vs tors. theta energy: -278.545 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: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -3305.843007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3305.843007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3305.843007 (E_RNA) where: Base-Base interactions energy: -2382.890 where: short stacking energy: -924.631 Base-Backbone interact. energy: 2.133 local terms energy: -925.086679 where: bonds (distance) C4'-P energy: -172.936 bonds (distance) P-C4' energy: -172.488 flat angles C4'-P-C4' energy: -203.024 flat angles P-C4'-P energy: -125.999 tors. eta vs tors. theta energy: -250.640 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: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -3097.218420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.218420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.218420 (E_RNA) where: Base-Base interactions energy: -2201.763 where: short stacking energy: -887.700 Base-Backbone interact. energy: 3.135 local terms energy: -898.590662 where: bonds (distance) C4'-P energy: -157.220 bonds (distance) P-C4' energy: -171.231 flat angles C4'-P-C4' energy: -205.420 flat angles P-C4'-P energy: -117.642 tors. eta vs tors. theta energy: -247.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -3052.620339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.620339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.620339 (E_RNA) where: Base-Base interactions energy: -2174.445 where: short stacking energy: -834.892 Base-Backbone interact. energy: 0.214 local terms energy: -878.388980 where: bonds (distance) C4'-P energy: -175.439 bonds (distance) P-C4' energy: -166.037 flat angles C4'-P-C4' energy: -190.365 flat angles P-C4'-P energy: -133.456 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: 6, replica: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2984.257870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.257870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.257870 (E_RNA) where: Base-Base interactions energy: -2150.794 where: short stacking energy: -840.997 Base-Backbone interact. energy: -2.000 local terms energy: -831.464137 where: bonds (distance) C4'-P energy: -155.235 bonds (distance) P-C4' energy: -156.388 flat angles C4'-P-C4' energy: -171.291 flat angles P-C4'-P energy: -125.722 tors. eta vs tors. theta energy: -222.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -2809.149367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.149367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.149367 (E_RNA) where: Base-Base interactions energy: -1967.311 where: short stacking energy: -785.852 Base-Backbone interact. energy: -0.556 local terms energy: -841.282282 where: bonds (distance) C4'-P energy: -150.795 bonds (distance) P-C4' energy: -153.059 flat angles C4'-P-C4' energy: -183.311 flat angles P-C4'-P energy: -128.777 tors. eta vs tors. theta energy: -225.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -2668.035990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.035990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.035990 (E_RNA) where: Base-Base interactions energy: -1910.232 where: short stacking energy: -789.391 Base-Backbone interact. energy: -2.968 local terms energy: -754.836326 where: bonds (distance) C4'-P energy: -140.627 bonds (distance) P-C4' energy: -137.051 flat angles C4'-P-C4' energy: -177.994 flat angles P-C4'-P energy: -93.561 tors. eta vs tors. theta energy: -205.603 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: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -2063.576791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.576791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.576791 (E_RNA) where: Base-Base interactions energy: -1395.147 where: short stacking energy: -605.769 Base-Backbone interact. energy: 2.685 local terms energy: -671.114594 where: bonds (distance) C4'-P energy: -154.514 bonds (distance) P-C4' energy: -121.309 flat angles C4'-P-C4' energy: -152.767 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -127.015 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: 10, replica: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1801.038863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.038863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.038863 (E_RNA) where: Base-Base interactions energy: -1156.643 where: short stacking energy: -497.110 Base-Backbone interact. energy: 2.730 local terms energy: -647.126174 where: bonds (distance) C4'-P energy: -147.440 bonds (distance) P-C4' energy: -170.785 flat angles C4'-P-C4' energy: -142.030 flat angles P-C4'-P energy: -91.034 tors. eta vs tors. theta energy: -95.837 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: 1 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -3542.979451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3542.979451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3542.979451 (E_RNA) where: Base-Base interactions energy: -2543.353 where: short stacking energy: -1043.692 Base-Backbone interact. energy: -1.967 local terms energy: -997.658867 where: bonds (distance) C4'-P energy: -190.539 bonds (distance) P-C4' energy: -174.530 flat angles C4'-P-C4' energy: -214.716 flat angles P-C4'-P energy: -130.812 tors. eta vs tors. theta energy: -287.062 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: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -3431.385496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3431.385496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3431.385496 (E_RNA) where: Base-Base interactions energy: -2463.741 where: short stacking energy: -974.199 Base-Backbone interact. energy: -0.666 local terms energy: -966.979074 where: bonds (distance) C4'-P energy: -184.199 bonds (distance) P-C4' energy: -181.368 flat angles C4'-P-C4' energy: -202.484 flat angles P-C4'-P energy: -138.483 tors. eta vs tors. theta energy: -260.444 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: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -3292.680344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.680344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.680344 (E_RNA) where: Base-Base interactions energy: -2350.758 where: short stacking energy: -946.410 Base-Backbone interact. energy: -2.568 local terms energy: -939.354368 where: bonds (distance) C4'-P energy: -166.488 bonds (distance) P-C4' energy: -181.796 flat angles C4'-P-C4' energy: -197.842 flat angles P-C4'-P energy: -122.170 tors. eta vs tors. theta energy: -271.058 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: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -3098.059423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.059423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.059423 (E_RNA) where: Base-Base interactions energy: -2191.557 where: short stacking energy: -869.795 Base-Backbone interact. energy: -1.391 local terms energy: -905.111530 where: bonds (distance) C4'-P energy: -175.913 bonds (distance) P-C4' energy: -171.027 flat angles C4'-P-C4' energy: -199.982 flat angles P-C4'-P energy: -116.366 tors. eta vs tors. theta energy: -241.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -3103.045101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.045101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.045101 (E_RNA) where: Base-Base interactions energy: -2236.207 where: short stacking energy: -845.338 Base-Backbone interact. energy: 1.044 local terms energy: -867.882168 where: bonds (distance) C4'-P energy: -147.075 bonds (distance) P-C4' energy: -171.266 flat angles C4'-P-C4' energy: -192.615 flat angles P-C4'-P energy: -125.006 tors. eta vs tors. theta energy: -231.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2996.946839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.946839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.946839 (E_RNA) where: Base-Base interactions energy: -2138.560 where: short stacking energy: -850.381 Base-Backbone interact. energy: -3.213 local terms energy: -855.173689 where: bonds (distance) C4'-P energy: -160.875 bonds (distance) P-C4' energy: -145.706 flat angles C4'-P-C4' energy: -175.886 flat angles P-C4'-P energy: -127.467 tors. eta vs tors. theta energy: -245.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -2806.415202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.415202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.415202 (E_RNA) where: Base-Base interactions energy: -1995.420 where: short stacking energy: -804.951 Base-Backbone interact. energy: 2.315 local terms energy: -813.310525 where: bonds (distance) C4'-P energy: -149.606 bonds (distance) P-C4' energy: -152.663 flat angles C4'-P-C4' energy: -191.522 flat angles P-C4'-P energy: -98.159 tors. eta vs tors. theta energy: -221.361 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: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -2643.108936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.108936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.108936 (E_RNA) where: Base-Base interactions energy: -1847.767 where: short stacking energy: -740.362 Base-Backbone interact. energy: -0.495 local terms energy: -794.846855 where: bonds (distance) C4'-P energy: -173.518 bonds (distance) P-C4' energy: -149.682 flat angles C4'-P-C4' energy: -152.276 flat angles P-C4'-P energy: -117.580 tors. eta vs tors. theta energy: -201.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1982.113741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.113741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.113741 (E_RNA) where: Base-Base interactions energy: -1322.413 where: short stacking energy: -558.439 Base-Backbone interact. energy: -0.480 local terms energy: -659.220877 where: bonds (distance) C4'-P energy: -132.585 bonds (distance) P-C4' energy: -157.690 flat angles C4'-P-C4' energy: -149.934 flat angles P-C4'-P energy: -87.633 tors. eta vs tors. theta energy: -131.379 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: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1837.701442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.701442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.701442 (E_RNA) where: Base-Base interactions energy: -1250.087 where: short stacking energy: -515.680 Base-Backbone interact. energy: 6.773 local terms energy: -594.387383 where: bonds (distance) C4'-P energy: -120.668 bonds (distance) P-C4' energy: -123.440 flat angles C4'-P-C4' energy: -149.234 flat angles P-C4'-P energy: -103.082 tors. eta vs tors. theta energy: -97.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -3566.898512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.898512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.898512 (E_RNA) where: Base-Base interactions energy: -2541.179 where: short stacking energy: -1024.048 Base-Backbone interact. energy: -2.330 local terms energy: -1023.389768 where: bonds (distance) C4'-P energy: -170.401 bonds (distance) P-C4' energy: -197.079 flat angles C4'-P-C4' energy: -210.778 flat angles P-C4'-P energy: -154.094 tors. eta vs tors. theta energy: -291.038 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: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -3423.310316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3423.310316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3423.310316 (E_RNA) where: Base-Base interactions energy: -2482.385 where: short stacking energy: -977.472 Base-Backbone interact. energy: -1.449 local terms energy: -939.476409 where: bonds (distance) C4'-P energy: -175.736 bonds (distance) P-C4' energy: -184.293 flat angles C4'-P-C4' energy: -206.198 flat angles P-C4'-P energy: -127.809 tors. eta vs tors. theta energy: -245.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -3332.069215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.069215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.069215 (E_RNA) where: Base-Base interactions energy: -2394.226 where: short stacking energy: -952.037 Base-Backbone interact. energy: -2.523 local terms energy: -935.320005 where: bonds (distance) C4'-P energy: -167.638 bonds (distance) P-C4' energy: -173.739 flat angles C4'-P-C4' energy: -203.070 flat angles P-C4'-P energy: -131.330 tors. eta vs tors. theta energy: -259.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -3109.652082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.652082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.652082 (E_RNA) where: Base-Base interactions energy: -2201.847 where: short stacking energy: -878.716 Base-Backbone interact. energy: 1.135 local terms energy: -908.940180 where: bonds (distance) C4'-P energy: -177.673 bonds (distance) P-C4' energy: -174.912 flat angles C4'-P-C4' energy: -184.172 flat angles P-C4'-P energy: -128.140 tors. eta vs tors. theta energy: -244.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -3108.053165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.053165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.053165 (E_RNA) where: Base-Base interactions energy: -2247.578 where: short stacking energy: -850.762 Base-Backbone interact. energy: -2.842 local terms energy: -857.633581 where: bonds (distance) C4'-P energy: -150.488 bonds (distance) P-C4' energy: -159.486 flat angles C4'-P-C4' energy: -196.591 flat angles P-C4'-P energy: -108.028 tors. eta vs tors. theta energy: -243.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2992.161221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.161221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.161221 (E_RNA) where: Base-Base interactions energy: -2124.847 where: short stacking energy: -856.770 Base-Backbone interact. energy: -0.644 local terms energy: -866.670379 where: bonds (distance) C4'-P energy: -162.109 bonds (distance) P-C4' energy: -171.537 flat angles C4'-P-C4' energy: -184.585 flat angles P-C4'-P energy: -124.491 tors. eta vs tors. theta energy: -223.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -2853.180755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.180755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.180755 (E_RNA) where: Base-Base interactions energy: -2058.907 where: short stacking energy: -804.377 Base-Backbone interact. energy: -0.652 local terms energy: -793.621142 where: bonds (distance) C4'-P energy: -145.045 bonds (distance) P-C4' energy: -129.718 flat angles C4'-P-C4' energy: -178.252 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -229.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -2699.120493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.120493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.120493 (E_RNA) where: Base-Base interactions energy: -1901.897 where: short stacking energy: -756.199 Base-Backbone interact. energy: -0.739 local terms energy: -796.485057 where: bonds (distance) C4'-P energy: -138.935 bonds (distance) P-C4' energy: -148.540 flat angles C4'-P-C4' energy: -164.567 flat angles P-C4'-P energy: -124.323 tors. eta vs tors. theta energy: -220.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -2044.203461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.203461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.203461 (E_RNA) where: Base-Base interactions energy: -1351.286 where: short stacking energy: -584.879 Base-Backbone interact. energy: -2.238 local terms energy: -690.679304 where: bonds (distance) C4'-P energy: -160.237 bonds (distance) P-C4' energy: -121.132 flat angles C4'-P-C4' energy: -166.662 flat angles P-C4'-P energy: -119.650 tors. eta vs tors. theta energy: -122.998 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: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1834.394961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.394961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.394961 (E_RNA) where: Base-Base interactions energy: -1230.601 where: short stacking energy: -518.771 Base-Backbone interact. energy: 6.568 local terms energy: -610.361445 where: bonds (distance) C4'-P energy: -122.958 bonds (distance) P-C4' energy: -158.372 flat angles C4'-P-C4' energy: -157.590 flat angles P-C4'-P energy: -63.223 tors. eta vs tors. theta energy: -108.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -3560.153254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3560.153254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3560.153254 (E_RNA) where: Base-Base interactions energy: -2557.278 where: short stacking energy: -1034.581 Base-Backbone interact. energy: -1.838 local terms energy: -1001.036950 where: bonds (distance) C4'-P energy: -189.536 bonds (distance) P-C4' energy: -166.593 flat angles C4'-P-C4' energy: -208.229 flat angles P-C4'-P energy: -144.199 tors. eta vs tors. theta energy: -292.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -3433.749365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3433.749365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3433.749365 (E_RNA) where: Base-Base interactions energy: -2474.921 where: short stacking energy: -994.908 Base-Backbone interact. energy: 0.381 local terms energy: -959.209036 where: bonds (distance) C4'-P energy: -179.852 bonds (distance) P-C4' energy: -169.489 flat angles C4'-P-C4' energy: -196.367 flat angles P-C4'-P energy: -145.234 tors. eta vs tors. theta energy: -268.267 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: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -3338.397503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3338.397503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3338.397503 (E_RNA) where: Base-Base interactions energy: -2390.028 where: short stacking energy: -946.023 Base-Backbone interact. energy: 3.560 local terms energy: -951.929746 where: bonds (distance) C4'-P energy: -162.190 bonds (distance) P-C4' energy: -178.127 flat angles C4'-P-C4' energy: -206.932 flat angles P-C4'-P energy: -137.537 tors. eta vs tors. theta energy: -267.144 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: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -3129.975014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.975014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.975014 (E_RNA) where: Base-Base interactions energy: -2231.029 where: short stacking energy: -868.495 Base-Backbone interact. energy: -2.063 local terms energy: -896.882871 where: bonds (distance) C4'-P energy: -164.488 bonds (distance) P-C4' energy: -163.643 flat angles C4'-P-C4' energy: -198.370 flat angles P-C4'-P energy: -132.210 tors. eta vs tors. theta energy: -238.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -3119.484980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.484980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.484980 (E_RNA) where: Base-Base interactions energy: -2254.921 where: short stacking energy: -851.125 Base-Backbone interact. energy: -1.452 local terms energy: -863.112083 where: bonds (distance) C4'-P energy: -161.745 bonds (distance) P-C4' energy: -172.787 flat angles C4'-P-C4' energy: -191.122 flat angles P-C4'-P energy: -122.884 tors. eta vs tors. theta energy: -214.574 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: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -3017.026194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.026194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.026194 (E_RNA) where: Base-Base interactions energy: -2130.903 where: short stacking energy: -863.691 Base-Backbone interact. energy: 6.718 local terms energy: -892.841113 where: bonds (distance) C4'-P energy: -164.594 bonds (distance) P-C4' energy: -166.705 flat angles C4'-P-C4' energy: -199.234 flat angles P-C4'-P energy: -125.131 tors. eta vs tors. theta energy: -237.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -2840.057949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.057949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.057949 (E_RNA) where: Base-Base interactions energy: -2015.363 where: short stacking energy: -821.271 Base-Backbone interact. energy: 4.806 local terms energy: -829.500040 where: bonds (distance) C4'-P energy: -144.344 bonds (distance) P-C4' energy: -164.507 flat angles C4'-P-C4' energy: -186.846 flat angles P-C4'-P energy: -116.981 tors. eta vs tors. theta energy: -216.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -2666.910760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.910760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.910760 (E_RNA) where: Base-Base interactions energy: -1887.839 where: short stacking energy: -765.817 Base-Backbone interact. energy: 0.805 local terms energy: -779.877417 where: bonds (distance) C4'-P energy: -156.034 bonds (distance) P-C4' energy: -139.336 flat angles C4'-P-C4' energy: -173.609 flat angles P-C4'-P energy: -117.289 tors. eta vs tors. theta energy: -193.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -2010.728768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.728768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.728768 (E_RNA) where: Base-Base interactions energy: -1351.004 where: short stacking energy: -546.540 Base-Backbone interact. energy: -4.441 local terms energy: -655.283887 where: bonds (distance) C4'-P energy: -124.506 bonds (distance) P-C4' energy: -157.413 flat angles C4'-P-C4' energy: -156.225 flat angles P-C4'-P energy: -90.548 tors. eta vs tors. theta energy: -126.593 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: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1867.712897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.712897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.712897 (E_RNA) where: Base-Base interactions energy: -1262.303 where: short stacking energy: -561.176 Base-Backbone interact. energy: 4.729 local terms energy: -610.138898 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -148.896 flat angles C4'-P-C4' energy: -137.808 flat angles P-C4'-P energy: -74.176 tors. eta vs tors. theta energy: -118.433 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: 1 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -3557.635274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3557.635274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3557.635274 (E_RNA) where: Base-Base interactions energy: -2538.891 where: short stacking energy: -1036.708 Base-Backbone interact. energy: 0.109 local terms energy: -1018.853878 where: bonds (distance) C4'-P energy: -181.593 bonds (distance) P-C4' energy: -177.421 flat angles C4'-P-C4' energy: -217.345 flat angles P-C4'-P energy: -155.846 tors. eta vs tors. theta energy: -286.649 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: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -3421.974062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3421.974062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3421.974062 (E_RNA) where: Base-Base interactions energy: -2465.109 where: short stacking energy: -987.196 Base-Backbone interact. energy: -2.161 local terms energy: -954.704169 where: bonds (distance) C4'-P energy: -161.375 bonds (distance) P-C4' energy: -183.416 flat angles C4'-P-C4' energy: -205.225 flat angles P-C4'-P energy: -130.162 tors. eta vs tors. theta energy: -274.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -3352.681069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.681069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.681069 (E_RNA) where: Base-Base interactions energy: -2413.448 where: short stacking energy: -966.258 Base-Backbone interact. energy: 2.488 local terms energy: -941.721107 where: bonds (distance) C4'-P energy: -153.426 bonds (distance) P-C4' energy: -173.212 flat angles C4'-P-C4' energy: -217.560 flat angles P-C4'-P energy: -126.375 tors. eta vs tors. theta energy: -271.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -3106.851109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.851109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.851109 (E_RNA) where: Base-Base interactions energy: -2222.172 where: short stacking energy: -892.898 Base-Backbone interact. energy: 4.724 local terms energy: -889.402766 where: bonds (distance) C4'-P energy: -165.741 bonds (distance) P-C4' energy: -170.008 flat angles C4'-P-C4' energy: -193.162 flat angles P-C4'-P energy: -124.672 tors. eta vs tors. theta energy: -235.821 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: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -3094.480196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.480196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.480196 (E_RNA) where: Base-Base interactions energy: -2208.973 where: short stacking energy: -843.192 Base-Backbone interact. energy: -4.095 local terms energy: -881.412230 where: bonds (distance) C4'-P energy: -163.876 bonds (distance) P-C4' energy: -162.063 flat angles C4'-P-C4' energy: -192.134 flat angles P-C4'-P energy: -135.223 tors. eta vs tors. theta energy: -228.117 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: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -3093.612308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.612308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.612308 (E_RNA) where: Base-Base interactions energy: -2213.451 where: short stacking energy: -864.371 Base-Backbone interact. energy: -2.367 local terms energy: -877.794291 where: bonds (distance) C4'-P energy: -161.990 bonds (distance) P-C4' energy: -165.701 flat angles C4'-P-C4' energy: -205.815 flat angles P-C4'-P energy: -110.387 tors. eta vs tors. theta energy: -233.901 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: 9 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -2936.473123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.473123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.473123 (E_RNA) where: Base-Base interactions energy: -2051.000 where: short stacking energy: -816.213 Base-Backbone interact. energy: 0.221 local terms energy: -885.693390 where: bonds (distance) C4'-P energy: -173.166 bonds (distance) P-C4' energy: -142.414 flat angles C4'-P-C4' energy: -191.936 flat angles P-C4'-P energy: -129.081 tors. eta vs tors. theta energy: -249.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -2647.895794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.895794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.895794 (E_RNA) where: Base-Base interactions energy: -1882.155 where: short stacking energy: -757.653 Base-Backbone interact. energy: 0.652 local terms energy: -766.393283 where: bonds (distance) C4'-P energy: -152.284 bonds (distance) P-C4' energy: -116.111 flat angles C4'-P-C4' energy: -185.556 flat angles P-C4'-P energy: -95.322 tors. eta vs tors. theta energy: -217.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -2111.162382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.162382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.162382 (E_RNA) where: Base-Base interactions energy: -1414.535 where: short stacking energy: -608.438 Base-Backbone interact. energy: -1.807 local terms energy: -694.820598 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -148.514 flat angles C4'-P-C4' energy: -158.584 flat angles P-C4'-P energy: -117.892 tors. eta vs tors. theta energy: -144.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1949.628481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.628481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.628481 (E_RNA) where: Base-Base interactions energy: -1300.941 where: short stacking energy: -535.226 Base-Backbone interact. energy: 3.743 local terms energy: -652.430253 where: bonds (distance) C4'-P energy: -155.989 bonds (distance) P-C4' energy: -138.237 flat angles C4'-P-C4' energy: -152.025 flat angles P-C4'-P energy: -96.782 tors. eta vs tors. theta energy: -109.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -3563.974603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3563.974603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3563.974603 (E_RNA) where: Base-Base interactions energy: -2523.177 where: short stacking energy: -1031.811 Base-Backbone interact. energy: -0.057 local terms energy: -1040.740897 where: bonds (distance) C4'-P energy: -178.537 bonds (distance) P-C4' energy: -185.627 flat angles C4'-P-C4' energy: -223.027 flat angles P-C4'-P energy: -151.151 tors. eta vs tors. theta energy: -302.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -3405.628641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.628641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.628641 (E_RNA) where: Base-Base interactions energy: -2438.177 where: short stacking energy: -957.056 Base-Backbone interact. energy: -1.499 local terms energy: -965.953254 where: bonds (distance) C4'-P energy: -177.531 bonds (distance) P-C4' energy: -188.347 flat angles C4'-P-C4' energy: -195.230 flat angles P-C4'-P energy: -132.618 tors. eta vs tors. theta energy: -272.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -3358.023040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3358.023040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3358.023040 (E_RNA) where: Base-Base interactions energy: -2413.694 where: short stacking energy: -948.414 Base-Backbone interact. energy: -1.225 local terms energy: -943.104846 where: bonds (distance) C4'-P energy: -183.490 bonds (distance) P-C4' energy: -162.827 flat angles C4'-P-C4' energy: -188.823 flat angles P-C4'-P energy: -127.052 tors. eta vs tors. theta energy: -280.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -3126.787939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.787939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.787939 (E_RNA) where: Base-Base interactions energy: -2206.853 where: short stacking energy: -897.836 Base-Backbone interact. energy: 2.259 local terms energy: -922.194216 where: bonds (distance) C4'-P energy: -175.371 bonds (distance) P-C4' energy: -172.708 flat angles C4'-P-C4' energy: -196.655 flat angles P-C4'-P energy: -133.573 tors. eta vs tors. theta energy: -243.888 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: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -3122.893890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.893890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.893890 (E_RNA) where: Base-Base interactions energy: -2238.842 where: short stacking energy: -853.703 Base-Backbone interact. energy: -3.310 local terms energy: -880.741807 where: bonds (distance) C4'-P energy: -176.466 bonds (distance) P-C4' energy: -165.918 flat angles C4'-P-C4' energy: -191.608 flat angles P-C4'-P energy: -117.286 tors. eta vs tors. theta energy: -229.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -3058.219453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.219453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.219453 (E_RNA) where: Base-Base interactions energy: -2149.233 where: short stacking energy: -860.537 Base-Backbone interact. energy: -0.003 local terms energy: -908.983503 where: bonds (distance) C4'-P energy: -146.876 bonds (distance) P-C4' energy: -172.272 flat angles C4'-P-C4' energy: -197.899 flat angles P-C4'-P energy: -142.840 tors. eta vs tors. theta energy: -249.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -2905.330329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.330329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.330329 (E_RNA) where: Base-Base interactions energy: -2073.508 where: short stacking energy: -826.766 Base-Backbone interact. energy: 2.027 local terms energy: -833.849612 where: bonds (distance) C4'-P energy: -137.959 bonds (distance) P-C4' energy: -159.984 flat angles C4'-P-C4' energy: -189.417 flat angles P-C4'-P energy: -122.026 tors. eta vs tors. theta energy: -224.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -2677.178233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.178233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.178233 (E_RNA) where: Base-Base interactions energy: -1895.988 where: short stacking energy: -748.818 Base-Backbone interact. energy: -2.448 local terms energy: -778.741565 where: bonds (distance) C4'-P energy: -128.106 bonds (distance) P-C4' energy: -159.710 flat angles C4'-P-C4' energy: -167.711 flat angles P-C4'-P energy: -120.739 tors. eta vs tors. theta energy: -202.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -2040.962624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.962624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.962624 (E_RNA) where: Base-Base interactions energy: -1393.687 where: short stacking energy: -597.921 Base-Backbone interact. energy: -2.221 local terms energy: -645.054937 where: bonds (distance) C4'-P energy: -127.393 bonds (distance) P-C4' energy: -144.143 flat angles C4'-P-C4' energy: -153.791 flat angles P-C4'-P energy: -84.199 tors. eta vs tors. theta energy: -135.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1979.958402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.958402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.958402 (E_RNA) where: Base-Base interactions energy: -1335.843 where: short stacking energy: -559.776 Base-Backbone interact. energy: 4.705 local terms energy: -648.820959 where: bonds (distance) C4'-P energy: -134.339 bonds (distance) P-C4' energy: -145.044 flat angles C4'-P-C4' energy: -153.972 flat angles P-C4'-P energy: -95.959 tors. eta vs tors. theta energy: -119.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -3535.682483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3535.682483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3535.682483 (E_RNA) where: Base-Base interactions energy: -2526.048 where: short stacking energy: -1024.753 Base-Backbone interact. energy: -2.421 local terms energy: -1007.213475 where: bonds (distance) C4'-P energy: -167.564 bonds (distance) P-C4' energy: -185.424 flat angles C4'-P-C4' energy: -220.361 flat angles P-C4'-P energy: -140.972 tors. eta vs tors. theta energy: -292.892 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: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -3460.628490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3460.628490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3460.628490 (E_RNA) where: Base-Base interactions energy: -2483.786 where: short stacking energy: -969.148 Base-Backbone interact. energy: -1.581 local terms energy: -975.261267 where: bonds (distance) C4'-P energy: -181.376 bonds (distance) P-C4' energy: -189.991 flat angles C4'-P-C4' energy: -205.211 flat angles P-C4'-P energy: -146.652 tors. eta vs tors. theta energy: -252.032 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: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -3352.087423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.087423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.087423 (E_RNA) where: Base-Base interactions energy: -2375.168 where: short stacking energy: -940.716 Base-Backbone interact. energy: -2.804 local terms energy: -974.115743 where: bonds (distance) C4'-P energy: -179.843 bonds (distance) P-C4' energy: -181.797 flat angles C4'-P-C4' energy: -206.351 flat angles P-C4'-P energy: -137.208 tors. eta vs tors. theta energy: -268.918 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: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -3159.256952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.256952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.256952 (E_RNA) where: Base-Base interactions energy: -2256.285 where: short stacking energy: -880.951 Base-Backbone interact. energy: -2.049 local terms energy: -900.922949 where: bonds (distance) C4'-P energy: -164.422 bonds (distance) P-C4' energy: -165.193 flat angles C4'-P-C4' energy: -201.050 flat angles P-C4'-P energy: -129.299 tors. eta vs tors. theta energy: -240.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -3012.756620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.756620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.756620 (E_RNA) where: Base-Base interactions energy: -2178.200 where: short stacking energy: -877.246 Base-Backbone interact. energy: -0.270 local terms energy: -834.287158 where: bonds (distance) C4'-P energy: -153.112 bonds (distance) P-C4' energy: -163.360 flat angles C4'-P-C4' energy: -169.073 flat angles P-C4'-P energy: -119.105 tors. eta vs tors. theta energy: -229.638 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: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -3061.396877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.396877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.396877 (E_RNA) where: Base-Base interactions energy: -2204.870 where: short stacking energy: -882.897 Base-Backbone interact. energy: 0.586 local terms energy: -857.112507 where: bonds (distance) C4'-P energy: -141.162 bonds (distance) P-C4' energy: -151.408 flat angles C4'-P-C4' energy: -198.396 flat angles P-C4'-P energy: -123.120 tors. eta vs tors. theta energy: -243.027 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: 9 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2948.691503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.691503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.691503 (E_RNA) where: Base-Base interactions energy: -2123.678 where: short stacking energy: -841.352 Base-Backbone interact. energy: -1.468 local terms energy: -823.545310 where: bonds (distance) C4'-P energy: -137.401 bonds (distance) P-C4' energy: -163.596 flat angles C4'-P-C4' energy: -181.240 flat angles P-C4'-P energy: -108.260 tors. eta vs tors. theta energy: -233.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -2737.886346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.886346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.886346 (E_RNA) where: Base-Base interactions energy: -1927.799 where: short stacking energy: -777.914 Base-Backbone interact. energy: -0.899 local terms energy: -809.188252 where: bonds (distance) C4'-P energy: -155.253 bonds (distance) P-C4' energy: -134.074 flat angles C4'-P-C4' energy: -186.174 flat angles P-C4'-P energy: -110.402 tors. eta vs tors. theta energy: -223.285 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: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -2107.841515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.841515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.841515 (E_RNA) where: Base-Base interactions energy: -1415.623 where: short stacking energy: -608.058 Base-Backbone interact. energy: 0.382 local terms energy: -692.600781 where: bonds (distance) C4'-P energy: -107.754 bonds (distance) P-C4' energy: -154.412 flat angles C4'-P-C4' energy: -177.382 flat angles P-C4'-P energy: -100.585 tors. eta vs tors. theta energy: -152.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1891.131343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.131343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.131343 (E_RNA) where: Base-Base interactions energy: -1268.677 where: short stacking energy: -524.047 Base-Backbone interact. energy: 2.751 local terms energy: -625.204880 where: bonds (distance) C4'-P energy: -145.423 bonds (distance) P-C4' energy: -150.030 flat angles C4'-P-C4' energy: -137.988 flat angles P-C4'-P energy: -88.380 tors. eta vs tors. theta energy: -103.383 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: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -3561.772211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3561.772211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3561.772211 (E_RNA) where: Base-Base interactions energy: -2529.714 where: short stacking energy: -1018.229 Base-Backbone interact. energy: -1.137 local terms energy: -1030.921659 where: bonds (distance) C4'-P energy: -181.480 bonds (distance) P-C4' energy: -198.546 flat angles C4'-P-C4' energy: -210.157 flat angles P-C4'-P energy: -152.765 tors. eta vs tors. theta energy: -287.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -3445.799419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3445.799419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3445.799419 (E_RNA) where: Base-Base interactions energy: -2498.525 where: short stacking energy: -968.203 Base-Backbone interact. energy: -0.324 local terms energy: -946.950465 where: bonds (distance) C4'-P energy: -169.026 bonds (distance) P-C4' energy: -181.558 flat angles C4'-P-C4' energy: -204.575 flat angles P-C4'-P energy: -133.854 tors. eta vs tors. theta energy: -257.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -3310.415729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.415729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.415729 (E_RNA) where: Base-Base interactions energy: -2383.007 where: short stacking energy: -912.644 Base-Backbone interact. energy: 7.850 local terms energy: -935.258610 where: bonds (distance) C4'-P energy: -157.618 bonds (distance) P-C4' energy: -169.141 flat angles C4'-P-C4' energy: -206.550 flat angles P-C4'-P energy: -139.381 tors. eta vs tors. theta energy: -262.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -3133.950537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.950537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.950537 (E_RNA) where: Base-Base interactions energy: -2226.471 where: short stacking energy: -870.865 Base-Backbone interact. energy: -0.089 local terms energy: -907.390797 where: bonds (distance) C4'-P energy: -160.820 bonds (distance) P-C4' energy: -184.799 flat angles C4'-P-C4' energy: -190.309 flat angles P-C4'-P energy: -136.323 tors. eta vs tors. theta energy: -235.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2993.604314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.604314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.604314 (E_RNA) where: Base-Base interactions energy: -2127.311 where: short stacking energy: -859.745 Base-Backbone interact. energy: 2.467 local terms energy: -868.760483 where: bonds (distance) C4'-P energy: -167.790 bonds (distance) P-C4' energy: -165.835 flat angles C4'-P-C4' energy: -190.026 flat angles P-C4'-P energy: -117.512 tors. eta vs tors. theta energy: -227.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -3034.585983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.585983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.585983 (E_RNA) where: Base-Base interactions energy: -2181.527 where: short stacking energy: -881.742 Base-Backbone interact. energy: 1.861 local terms energy: -854.920302 where: bonds (distance) C4'-P energy: -154.698 bonds (distance) P-C4' energy: -147.596 flat angles C4'-P-C4' energy: -182.364 flat angles P-C4'-P energy: -123.238 tors. eta vs tors. theta energy: -247.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2914.912096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.912096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.912096 (E_RNA) where: Base-Base interactions energy: -2088.638 where: short stacking energy: -816.997 Base-Backbone interact. energy: -1.411 local terms energy: -824.862880 where: bonds (distance) C4'-P energy: -146.812 bonds (distance) P-C4' energy: -146.852 flat angles C4'-P-C4' energy: -183.222 flat angles P-C4'-P energy: -131.797 tors. eta vs tors. theta energy: -216.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -2713.902196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.902196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.902196 (E_RNA) where: Base-Base interactions energy: -1898.978 where: short stacking energy: -744.492 Base-Backbone interact. energy: 0.641 local terms energy: -815.565282 where: bonds (distance) C4'-P energy: -151.592 bonds (distance) P-C4' energy: -171.793 flat angles C4'-P-C4' energy: -181.568 flat angles P-C4'-P energy: -113.982 tors. eta vs tors. theta energy: -196.630 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: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -2196.618138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.618138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.618138 (E_RNA) where: Base-Base interactions energy: -1491.448 where: short stacking energy: -638.963 Base-Backbone interact. energy: 0.823 local terms energy: -705.993132 where: bonds (distance) C4'-P energy: -133.750 bonds (distance) P-C4' energy: -153.516 flat angles C4'-P-C4' energy: -160.377 flat angles P-C4'-P energy: -92.175 tors. eta vs tors. theta energy: -166.176 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: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1978.034786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.034786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.034786 (E_RNA) where: Base-Base interactions energy: -1328.536 where: short stacking energy: -546.512 Base-Backbone interact. energy: -4.426 local terms energy: -645.072471 where: bonds (distance) C4'-P energy: -127.530 bonds (distance) P-C4' energy: -148.028 flat angles C4'-P-C4' energy: -160.028 flat angles P-C4'-P energy: -101.038 tors. eta vs tors. theta energy: -108.449 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: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -3592.714205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3592.714205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3592.714205 (E_RNA) where: Base-Base interactions energy: -2558.884 where: short stacking energy: -1040.279 Base-Backbone interact. energy: -2.787 local terms energy: -1031.043792 where: bonds (distance) C4'-P energy: -182.407 bonds (distance) P-C4' energy: -178.927 flat angles C4'-P-C4' energy: -214.167 flat angles P-C4'-P energy: -151.091 tors. eta vs tors. theta energy: -304.451 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: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -3445.815199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3445.815199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3445.815199 (E_RNA) where: Base-Base interactions energy: -2477.952 where: short stacking energy: -972.089 Base-Backbone interact. energy: -0.342 local terms energy: -967.520556 where: bonds (distance) C4'-P energy: -162.596 bonds (distance) P-C4' energy: -188.350 flat angles C4'-P-C4' energy: -201.814 flat angles P-C4'-P energy: -151.265 tors. eta vs tors. theta energy: -263.495 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: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -3307.518873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3307.518873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3307.518873 (E_RNA) where: Base-Base interactions energy: -2383.084 where: short stacking energy: -934.495 Base-Backbone interact. energy: -2.345 local terms energy: -922.090103 where: bonds (distance) C4'-P energy: -173.787 bonds (distance) P-C4' energy: -187.944 flat angles C4'-P-C4' energy: -189.426 flat angles P-C4'-P energy: -119.548 tors. eta vs tors. theta energy: -251.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -3200.712505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.712505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.712505 (E_RNA) where: Base-Base interactions energy: -2304.472 where: short stacking energy: -897.968 Base-Backbone interact. energy: 2.646 local terms energy: -898.886045 where: bonds (distance) C4'-P energy: -163.517 bonds (distance) P-C4' energy: -156.015 flat angles C4'-P-C4' energy: -197.957 flat angles P-C4'-P energy: -129.974 tors. eta vs tors. theta energy: -251.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2999.220672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.220672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.220672 (E_RNA) where: Base-Base interactions energy: -2146.881 where: short stacking energy: -848.657 Base-Backbone interact. energy: -1.721 local terms energy: -850.619083 where: bonds (distance) C4'-P energy: -148.781 bonds (distance) P-C4' energy: -160.435 flat angles C4'-P-C4' energy: -202.103 flat angles P-C4'-P energy: -119.373 tors. eta vs tors. theta energy: -219.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -3000.866558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.866558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.866558 (E_RNA) where: Base-Base interactions energy: -2134.548 where: short stacking energy: -858.641 Base-Backbone interact. energy: 1.558 local terms energy: -867.877167 where: bonds (distance) C4'-P energy: -169.175 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -178.370 flat angles P-C4'-P energy: -107.952 tors. eta vs tors. theta energy: -260.055 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: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -2925.547442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.547442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.547442 (E_RNA) where: Base-Base interactions energy: -2109.560 where: short stacking energy: -839.949 Base-Backbone interact. energy: -1.978 local terms energy: -814.009446 where: bonds (distance) C4'-P energy: -127.419 bonds (distance) P-C4' energy: -144.053 flat angles C4'-P-C4' energy: -185.508 flat angles P-C4'-P energy: -125.421 tors. eta vs tors. theta energy: -231.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -2727.231437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.231437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.231437 (E_RNA) where: Base-Base interactions energy: -1942.968 where: short stacking energy: -808.881 Base-Backbone interact. energy: 1.402 local terms energy: -785.665909 where: bonds (distance) C4'-P energy: -139.200 bonds (distance) P-C4' energy: -161.955 flat angles C4'-P-C4' energy: -165.819 flat angles P-C4'-P energy: -105.500 tors. eta vs tors. theta energy: -213.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -2109.713053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.713053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.713053 (E_RNA) where: Base-Base interactions energy: -1418.657 where: short stacking energy: -608.544 Base-Backbone interact. energy: 3.121 local terms energy: -694.176548 where: bonds (distance) C4'-P energy: -157.711 bonds (distance) P-C4' energy: -143.542 flat angles C4'-P-C4' energy: -149.461 flat angles P-C4'-P energy: -109.144 tors. eta vs tors. theta energy: -134.318 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: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -2039.987674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.987674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.987674 (E_RNA) where: Base-Base interactions energy: -1385.381 where: short stacking energy: -588.920 Base-Backbone interact. energy: -0.959 local terms energy: -653.647083 where: bonds (distance) C4'-P energy: -144.874 bonds (distance) P-C4' energy: -139.725 flat angles C4'-P-C4' energy: -155.233 flat angles P-C4'-P energy: -89.316 tors. eta vs tors. theta energy: -124.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -3598.753820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.753820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.753820 (E_RNA) where: Base-Base interactions energy: -2555.617 where: short stacking energy: -1023.256 Base-Backbone interact. energy: -1.701 local terms energy: -1041.435587 where: bonds (distance) C4'-P energy: -173.508 bonds (distance) P-C4' energy: -190.368 flat angles C4'-P-C4' energy: -223.839 flat angles P-C4'-P energy: -157.344 tors. eta vs tors. theta energy: -296.375 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: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -3430.982983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.982983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.982983 (E_RNA) where: Base-Base interactions energy: -2482.289 where: short stacking energy: -967.462 Base-Backbone interact. energy: 0.089 local terms energy: -948.782293 where: bonds (distance) C4'-P energy: -170.313 bonds (distance) P-C4' energy: -192.840 flat angles C4'-P-C4' energy: -180.890 flat angles P-C4'-P energy: -149.168 tors. eta vs tors. theta energy: -255.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -3296.008213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.008213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.008213 (E_RNA) where: Base-Base interactions energy: -2338.324 where: short stacking energy: -936.372 Base-Backbone interact. energy: -4.099 local terms energy: -953.585159 where: bonds (distance) C4'-P energy: -165.591 bonds (distance) P-C4' energy: -175.168 flat angles C4'-P-C4' energy: -217.144 flat angles P-C4'-P energy: -129.736 tors. eta vs tors. theta energy: -265.946 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: 78 Temperature: 1.050000 Total energy: -3143.912763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.912763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.912763 (E_RNA) where: Base-Base interactions energy: -2275.042 where: short stacking energy: -865.354 Base-Backbone interact. energy: -3.754 local terms energy: -865.116772 where: bonds (distance) C4'-P energy: -169.467 bonds (distance) P-C4' energy: -154.627 flat angles C4'-P-C4' energy: -193.541 flat angles P-C4'-P energy: -118.464 tors. eta vs tors. theta energy: -229.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -3106.041632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.041632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.041632 (E_RNA) where: Base-Base interactions energy: -2220.058 where: short stacking energy: -873.955 Base-Backbone interact. energy: -1.629 local terms energy: -884.355335 where: bonds (distance) C4'-P energy: -163.369 bonds (distance) P-C4' energy: -172.644 flat angles C4'-P-C4' energy: -193.893 flat angles P-C4'-P energy: -115.390 tors. eta vs tors. theta energy: -239.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2981.914310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.914310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.914310 (E_RNA) where: Base-Base interactions energy: -2133.806 where: short stacking energy: -832.152 Base-Backbone interact. energy: -1.149 local terms energy: -846.959271 where: bonds (distance) C4'-P energy: -151.287 bonds (distance) P-C4' energy: -138.079 flat angles C4'-P-C4' energy: -197.730 flat angles P-C4'-P energy: -118.687 tors. eta vs tors. theta energy: -241.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -2959.119447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.119447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.119447 (E_RNA) where: Base-Base interactions energy: -2107.717 where: short stacking energy: -842.968 Base-Backbone interact. energy: -0.486 local terms energy: -850.916179 where: bonds (distance) C4'-P energy: -159.996 bonds (distance) P-C4' energy: -151.556 flat angles C4'-P-C4' energy: -184.002 flat angles P-C4'-P energy: -117.615 tors. eta vs tors. theta energy: -237.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -2720.872697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.872697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.872697 (E_RNA) where: Base-Base interactions energy: -1940.816 where: short stacking energy: -785.633 Base-Backbone interact. energy: -2.072 local terms energy: -777.984760 where: bonds (distance) C4'-P energy: -138.388 bonds (distance) P-C4' energy: -142.927 flat angles C4'-P-C4' energy: -180.100 flat angles P-C4'-P energy: -110.043 tors. eta vs tors. theta energy: -206.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -2245.706621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.706621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.706621 (E_RNA) where: Base-Base interactions energy: -1569.786 where: short stacking energy: -640.236 Base-Backbone interact. energy: -0.580 local terms energy: -675.340055 where: bonds (distance) C4'-P energy: -132.987 bonds (distance) P-C4' energy: -143.411 flat angles C4'-P-C4' energy: -153.470 flat angles P-C4'-P energy: -101.645 tors. eta vs tors. theta energy: -143.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -2030.934688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.934688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.934688 (E_RNA) where: Base-Base interactions energy: -1364.256 where: short stacking energy: -577.238 Base-Backbone interact. energy: -0.203 local terms energy: -666.475918 where: bonds (distance) C4'-P energy: -137.481 bonds (distance) P-C4' energy: -170.255 flat angles C4'-P-C4' energy: -132.139 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -123.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -3585.155538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3585.155538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3585.155538 (E_RNA) where: Base-Base interactions energy: -2555.289 where: short stacking energy: -1042.003 Base-Backbone interact. energy: -2.700 local terms energy: -1027.166218 where: bonds (distance) C4'-P energy: -196.226 bonds (distance) P-C4' energy: -183.609 flat angles C4'-P-C4' energy: -208.834 flat angles P-C4'-P energy: -142.352 tors. eta vs tors. theta energy: -296.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -3464.782522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.782522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.782522 (E_RNA) where: Base-Base interactions energy: -2488.162 where: short stacking energy: -983.888 Base-Backbone interact. energy: -0.013 local terms energy: -976.606909 where: bonds (distance) C4'-P energy: -202.791 bonds (distance) P-C4' energy: -174.387 flat angles C4'-P-C4' energy: -201.739 flat angles P-C4'-P energy: -139.370 tors. eta vs tors. theta energy: -258.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -3306.645359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3306.645359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3306.645359 (E_RNA) where: Base-Base interactions energy: -2337.493 where: short stacking energy: -903.703 Base-Backbone interact. energy: -4.648 local terms energy: -964.504366 where: bonds (distance) C4'-P energy: -178.453 bonds (distance) P-C4' energy: -183.862 flat angles C4'-P-C4' energy: -196.266 flat angles P-C4'-P energy: -137.443 tors. eta vs tors. theta energy: -268.480 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: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -3204.044056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.044056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.044056 (E_RNA) where: Base-Base interactions energy: -2293.701 where: short stacking energy: -898.271 Base-Backbone interact. energy: 1.711 local terms energy: -912.053452 where: bonds (distance) C4'-P energy: -175.894 bonds (distance) P-C4' energy: -165.830 flat angles C4'-P-C4' energy: -184.733 flat angles P-C4'-P energy: -125.690 tors. eta vs tors. theta energy: -259.907 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: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -3149.294017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.294017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.294017 (E_RNA) where: Base-Base interactions energy: -2245.697 where: short stacking energy: -875.189 Base-Backbone interact. energy: 2.126 local terms energy: -905.723156 where: bonds (distance) C4'-P energy: -155.828 bonds (distance) P-C4' energy: -177.927 flat angles C4'-P-C4' energy: -200.217 flat angles P-C4'-P energy: -125.763 tors. eta vs tors. theta energy: -245.988 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: 9 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -3037.690566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.690566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.690566 (E_RNA) where: Base-Base interactions energy: -2132.015 where: short stacking energy: -872.480 Base-Backbone interact. energy: -1.786 local terms energy: -903.890319 where: bonds (distance) C4'-P energy: -154.375 bonds (distance) P-C4' energy: -180.178 flat angles C4'-P-C4' energy: -195.054 flat angles P-C4'-P energy: -126.090 tors. eta vs tors. theta energy: -248.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -2900.116645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.116645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.116645 (E_RNA) where: Base-Base interactions energy: -2048.858 where: short stacking energy: -796.417 Base-Backbone interact. energy: -2.166 local terms energy: -849.093213 where: bonds (distance) C4'-P energy: -159.312 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -188.639 flat angles P-C4'-P energy: -114.832 tors. eta vs tors. theta energy: -234.065 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: 8, replica: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -2740.190391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.190391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.190391 (E_RNA) where: Base-Base interactions energy: -1921.415 where: short stacking energy: -764.655 Base-Backbone interact. energy: -2.560 local terms energy: -816.215248 where: bonds (distance) C4'-P energy: -140.936 bonds (distance) P-C4' energy: -153.141 flat angles C4'-P-C4' energy: -186.910 flat angles P-C4'-P energy: -130.658 tors. eta vs tors. theta energy: -204.571 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: 7 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -2307.776159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.776159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.776159 (E_RNA) where: Base-Base interactions energy: -1593.139 where: short stacking energy: -636.406 Base-Backbone interact. energy: 5.756 local terms energy: -720.393919 where: bonds (distance) C4'-P energy: -125.749 bonds (distance) P-C4' energy: -163.376 flat angles C4'-P-C4' energy: -163.475 flat angles P-C4'-P energy: -111.241 tors. eta vs tors. theta energy: -156.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -2070.382675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.382675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.382675 (E_RNA) where: Base-Base interactions energy: -1424.237 where: short stacking energy: -590.828 Base-Backbone interact. energy: 12.446 local terms energy: -658.591443 where: bonds (distance) C4'-P energy: -129.681 bonds (distance) P-C4' energy: -148.961 flat angles C4'-P-C4' energy: -143.276 flat angles P-C4'-P energy: -101.928 tors. eta vs tors. theta energy: -134.746 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: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -3603.885856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3603.885856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3603.885856 (E_RNA) where: Base-Base interactions energy: -2555.538 where: short stacking energy: -1045.938 Base-Backbone interact. energy: -4.065 local terms energy: -1044.283267 where: bonds (distance) C4'-P energy: -200.614 bonds (distance) P-C4' energy: -188.642 flat angles C4'-P-C4' energy: -212.998 flat angles P-C4'-P energy: -144.847 tors. eta vs tors. theta energy: -297.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -3450.561920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.561920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.561920 (E_RNA) where: Base-Base interactions energy: -2498.425 where: short stacking energy: -995.651 Base-Backbone interact. energy: -5.088 local terms energy: -947.048809 where: bonds (distance) C4'-P energy: -181.829 bonds (distance) P-C4' energy: -173.377 flat angles C4'-P-C4' energy: -209.649 flat angles P-C4'-P energy: -119.478 tors. eta vs tors. theta energy: -262.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -3298.520979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.520979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.520979 (E_RNA) where: Base-Base interactions energy: -2389.273 where: short stacking energy: -929.473 Base-Backbone interact. energy: -1.660 local terms energy: -907.588744 where: bonds (distance) C4'-P energy: -163.231 bonds (distance) P-C4' energy: -175.129 flat angles C4'-P-C4' energy: -199.945 flat angles P-C4'-P energy: -117.293 tors. eta vs tors. theta energy: -251.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -3200.050397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.050397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.050397 (E_RNA) where: Base-Base interactions energy: -2319.608 where: short stacking energy: -925.183 Base-Backbone interact. energy: -0.785 local terms energy: -879.657030 where: bonds (distance) C4'-P energy: -166.925 bonds (distance) P-C4' energy: -166.488 flat angles C4'-P-C4' energy: -182.254 flat angles P-C4'-P energy: -115.880 tors. eta vs tors. theta energy: -248.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -3167.000769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.000769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.000769 (E_RNA) where: Base-Base interactions energy: -2261.064 where: short stacking energy: -894.615 Base-Backbone interact. energy: 0.084 local terms energy: -906.021091 where: bonds (distance) C4'-P energy: -163.749 bonds (distance) P-C4' energy: -153.705 flat angles C4'-P-C4' energy: -197.056 flat angles P-C4'-P energy: -129.924 tors. eta vs tors. theta energy: -261.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -3067.282845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.282845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.282845 (E_RNA) where: Base-Base interactions energy: -2168.598 where: short stacking energy: -849.427 Base-Backbone interact. energy: -1.627 local terms energy: -897.057942 where: bonds (distance) C4'-P energy: -171.299 bonds (distance) P-C4' energy: -175.856 flat angles C4'-P-C4' energy: -199.897 flat angles P-C4'-P energy: -103.283 tors. eta vs tors. theta energy: -246.723 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: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -2799.341508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.341508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.341508 (E_RNA) where: Base-Base interactions energy: -1978.958 where: short stacking energy: -794.113 Base-Backbone interact. energy: 0.765 local terms energy: -821.149286 where: bonds (distance) C4'-P energy: -144.176 bonds (distance) P-C4' energy: -176.313 flat angles C4'-P-C4' energy: -190.725 flat angles P-C4'-P energy: -96.558 tors. eta vs tors. theta energy: -213.377 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: 3 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -2667.927532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.927532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.927532 (E_RNA) where: Base-Base interactions energy: -1904.492 where: short stacking energy: -758.464 Base-Backbone interact. energy: 0.215 local terms energy: -763.650207 where: bonds (distance) C4'-P energy: -140.388 bonds (distance) P-C4' energy: -143.146 flat angles C4'-P-C4' energy: -169.675 flat angles P-C4'-P energy: -113.203 tors. eta vs tors. theta energy: -197.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -2221.346666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.346666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.346666 (E_RNA) where: Base-Base interactions energy: -1484.896 where: short stacking energy: -610.466 Base-Backbone interact. energy: 1.701 local terms energy: -738.151576 where: bonds (distance) C4'-P energy: -153.989 bonds (distance) P-C4' energy: -175.697 flat angles C4'-P-C4' energy: -166.094 flat angles P-C4'-P energy: -96.261 tors. eta vs tors. theta energy: -146.111 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: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -2069.207861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.207861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.207861 (E_RNA) where: Base-Base interactions energy: -1395.353 where: short stacking energy: -570.872 Base-Backbone interact. energy: -0.515 local terms energy: -673.340302 where: bonds (distance) C4'-P energy: -144.928 bonds (distance) P-C4' energy: -136.209 flat angles C4'-P-C4' energy: -154.579 flat angles P-C4'-P energy: -104.369 tors. eta vs tors. theta energy: -133.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -3597.352271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.352271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.352271 (E_RNA) where: Base-Base interactions energy: -2558.189 where: short stacking energy: -1033.861 Base-Backbone interact. energy: -0.821 local terms energy: -1038.342398 where: bonds (distance) C4'-P energy: -169.317 bonds (distance) P-C4' energy: -196.133 flat angles C4'-P-C4' energy: -216.072 flat angles P-C4'-P energy: -162.373 tors. eta vs tors. theta energy: -294.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -3448.748647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.748647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.748647 (E_RNA) where: Base-Base interactions energy: -2478.958 where: short stacking energy: -959.736 Base-Backbone interact. energy: -0.715 local terms energy: -969.076273 where: bonds (distance) C4'-P energy: -175.553 bonds (distance) P-C4' energy: -187.395 flat angles C4'-P-C4' energy: -208.641 flat angles P-C4'-P energy: -143.121 tors. eta vs tors. theta energy: -254.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -3328.700614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3328.700614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3328.700614 (E_RNA) where: Base-Base interactions energy: -2365.113 where: short stacking energy: -956.830 Base-Backbone interact. energy: 0.955 local terms energy: -964.543343 where: bonds (distance) C4'-P energy: -175.090 bonds (distance) P-C4' energy: -187.235 flat angles C4'-P-C4' energy: -196.578 flat angles P-C4'-P energy: -143.625 tors. eta vs tors. theta energy: -262.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -3197.585653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.585653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.585653 (E_RNA) where: Base-Base interactions energy: -2315.477 where: short stacking energy: -898.992 Base-Backbone interact. energy: -0.465 local terms energy: -881.643442 where: bonds (distance) C4'-P energy: -162.315 bonds (distance) P-C4' energy: -170.177 flat angles C4'-P-C4' energy: -187.248 flat angles P-C4'-P energy: -117.382 tors. eta vs tors. theta energy: -244.521 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: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -3157.904940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.904940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.904940 (E_RNA) where: Base-Base interactions energy: -2247.897 where: short stacking energy: -880.918 Base-Backbone interact. energy: -1.263 local terms energy: -908.744260 where: bonds (distance) C4'-P energy: -148.537 bonds (distance) P-C4' energy: -168.017 flat angles C4'-P-C4' energy: -202.386 flat angles P-C4'-P energy: -137.420 tors. eta vs tors. theta energy: -252.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -3050.681955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.681955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.681955 (E_RNA) where: Base-Base interactions energy: -2173.023 where: short stacking energy: -855.866 Base-Backbone interact. energy: 5.489 local terms energy: -883.147758 where: bonds (distance) C4'-P energy: -167.286 bonds (distance) P-C4' energy: -149.119 flat angles C4'-P-C4' energy: -195.461 flat angles P-C4'-P energy: -132.494 tors. eta vs tors. theta energy: -238.788 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: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -2752.720950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.720950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.720950 (E_RNA) where: Base-Base interactions energy: -1942.572 where: short stacking energy: -794.963 Base-Backbone interact. energy: 8.935 local terms energy: -819.084337 where: bonds (distance) C4'-P energy: -152.787 bonds (distance) P-C4' energy: -113.246 flat angles C4'-P-C4' energy: -200.956 flat angles P-C4'-P energy: -133.854 tors. eta vs tors. theta energy: -218.241 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: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -2741.869069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.869069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.869069 (E_RNA) where: Base-Base interactions energy: -1918.758 where: short stacking energy: -774.447 Base-Backbone interact. energy: 4.684 local terms energy: -827.794597 where: bonds (distance) C4'-P energy: -149.667 bonds (distance) P-C4' energy: -151.190 flat angles C4'-P-C4' energy: -181.255 flat angles P-C4'-P energy: -117.419 tors. eta vs tors. theta energy: -228.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -2190.279759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.279759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.279759 (E_RNA) where: Base-Base interactions energy: -1525.520 where: short stacking energy: -599.011 Base-Backbone interact. energy: 0.996 local terms energy: -665.755764 where: bonds (distance) C4'-P energy: -120.019 bonds (distance) P-C4' energy: -135.668 flat angles C4'-P-C4' energy: -166.778 flat angles P-C4'-P energy: -96.009 tors. eta vs tors. theta energy: -147.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -2060.070755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.070755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.070755 (E_RNA) where: Base-Base interactions energy: -1382.436 where: short stacking energy: -568.333 Base-Backbone interact. energy: -1.894 local terms energy: -675.740166 where: bonds (distance) C4'-P energy: -140.117 bonds (distance) P-C4' energy: -158.182 flat angles C4'-P-C4' energy: -146.454 flat angles P-C4'-P energy: -101.673 tors. eta vs tors. theta energy: -129.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -3607.367476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.367476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.367476 (E_RNA) where: Base-Base interactions energy: -2563.596 where: short stacking energy: -1042.371 Base-Backbone interact. energy: -1.683 local terms energy: -1042.088415 where: bonds (distance) C4'-P energy: -181.725 bonds (distance) P-C4' energy: -199.330 flat angles C4'-P-C4' energy: -214.040 flat angles P-C4'-P energy: -145.702 tors. eta vs tors. theta energy: -301.291 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: 82 Temperature: 0.950000 Total energy: -3430.873529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.873529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.873529 (E_RNA) where: Base-Base interactions energy: -2455.352 where: short stacking energy: -966.024 Base-Backbone interact. energy: 10.299 local terms energy: -985.820409 where: bonds (distance) C4'-P energy: -159.458 bonds (distance) P-C4' energy: -202.299 flat angles C4'-P-C4' energy: -214.856 flat angles P-C4'-P energy: -144.973 tors. eta vs tors. theta energy: -264.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -3286.781639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3286.781639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3286.781639 (E_RNA) where: Base-Base interactions energy: -2369.947 where: short stacking energy: -922.745 Base-Backbone interact. energy: -0.078 local terms energy: -916.756109 where: bonds (distance) C4'-P energy: -176.758 bonds (distance) P-C4' energy: -175.195 flat angles C4'-P-C4' energy: -200.059 flat angles P-C4'-P energy: -116.450 tors. eta vs tors. theta energy: -248.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -3238.191193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.191193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.191193 (E_RNA) where: Base-Base interactions energy: -2323.809 where: short stacking energy: -894.810 Base-Backbone interact. energy: -1.424 local terms energy: -912.958397 where: bonds (distance) C4'-P energy: -158.372 bonds (distance) P-C4' energy: -185.890 flat angles C4'-P-C4' energy: -188.409 flat angles P-C4'-P energy: -127.193 tors. eta vs tors. theta energy: -253.094 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: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -3143.805649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.805649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.805649 (E_RNA) where: Base-Base interactions energy: -2237.117 where: short stacking energy: -885.811 Base-Backbone interact. energy: 0.341 local terms energy: -907.030162 where: bonds (distance) C4'-P energy: -158.377 bonds (distance) P-C4' energy: -166.706 flat angles C4'-P-C4' energy: -197.410 flat angles P-C4'-P energy: -126.744 tors. eta vs tors. theta energy: -257.792 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: 6, replica: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -3066.518717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.518717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.518717 (E_RNA) where: Base-Base interactions energy: -2168.476 where: short stacking energy: -868.996 Base-Backbone interact. energy: 4.194 local terms energy: -902.237219 where: bonds (distance) C4'-P energy: -164.581 bonds (distance) P-C4' energy: -178.232 flat angles C4'-P-C4' energy: -187.873 flat angles P-C4'-P energy: -134.948 tors. eta vs tors. theta energy: -236.603 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: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -2851.232036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.232036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.232036 (E_RNA) where: Base-Base interactions energy: -2060.104 where: short stacking energy: -802.702 Base-Backbone interact. energy: -1.700 local terms energy: -789.427978 where: bonds (distance) C4'-P energy: -152.214 bonds (distance) P-C4' energy: -129.742 flat angles C4'-P-C4' energy: -177.710 flat angles P-C4'-P energy: -106.768 tors. eta vs tors. theta energy: -222.994 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: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -2651.903444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.903444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.903444 (E_RNA) where: Base-Base interactions energy: -1863.319 where: short stacking energy: -749.784 Base-Backbone interact. energy: -0.732 local terms energy: -787.852692 where: bonds (distance) C4'-P energy: -161.215 bonds (distance) P-C4' energy: -133.949 flat angles C4'-P-C4' energy: -185.797 flat angles P-C4'-P energy: -112.693 tors. eta vs tors. theta energy: -194.198 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: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -2195.521758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.521758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.521758 (E_RNA) where: Base-Base interactions energy: -1549.452 where: short stacking energy: -621.710 Base-Backbone interact. energy: 2.059 local terms energy: -648.128756 where: bonds (distance) C4'-P energy: -118.817 bonds (distance) P-C4' energy: -131.406 flat angles C4'-P-C4' energy: -166.017 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -134.148 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: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1965.586980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.586980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.586980 (E_RNA) where: Base-Base interactions energy: -1346.241 where: short stacking energy: -558.562 Base-Backbone interact. energy: 4.536 local terms energy: -623.881787 where: bonds (distance) C4'-P energy: -158.536 bonds (distance) P-C4' energy: -125.998 flat angles C4'-P-C4' energy: -152.024 flat angles P-C4'-P energy: -61.369 tors. eta vs tors. theta energy: -125.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -3629.155370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3629.155370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3629.155370 (E_RNA) where: Base-Base interactions energy: -2578.479 where: short stacking energy: -1046.678 Base-Backbone interact. energy: -1.014 local terms energy: -1049.661965 where: bonds (distance) C4'-P energy: -173.145 bonds (distance) P-C4' energy: -202.394 flat angles C4'-P-C4' energy: -217.502 flat angles P-C4'-P energy: -154.843 tors. eta vs tors. theta energy: -301.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -3473.256715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.256715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.256715 (E_RNA) where: Base-Base interactions energy: -2503.057 where: short stacking energy: -982.031 Base-Backbone interact. energy: 0.396 local terms energy: -970.596046 where: bonds (distance) C4'-P energy: -170.054 bonds (distance) P-C4' energy: -178.102 flat angles C4'-P-C4' energy: -212.651 flat angles P-C4'-P energy: -142.308 tors. eta vs tors. theta energy: -267.481 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: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -3314.097715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3314.097715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3314.097715 (E_RNA) where: Base-Base interactions energy: -2369.065 where: short stacking energy: -923.796 Base-Backbone interact. energy: -2.088 local terms energy: -942.944446 where: bonds (distance) C4'-P energy: -170.249 bonds (distance) P-C4' energy: -174.900 flat angles C4'-P-C4' energy: -192.553 flat angles P-C4'-P energy: -144.521 tors. eta vs tors. theta energy: -260.723 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: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -3227.228984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.228984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.228984 (E_RNA) where: Base-Base interactions energy: -2320.590 where: short stacking energy: -927.907 Base-Backbone interact. energy: -1.176 local terms energy: -905.463853 where: bonds (distance) C4'-P energy: -166.783 bonds (distance) P-C4' energy: -150.411 flat angles C4'-P-C4' energy: -197.376 flat angles P-C4'-P energy: -129.303 tors. eta vs tors. theta energy: -261.590 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: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -3191.257455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.257455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.257455 (E_RNA) where: Base-Base interactions energy: -2274.315 where: short stacking energy: -907.597 Base-Backbone interact. energy: -2.764 local terms energy: -914.177632 where: bonds (distance) C4'-P energy: -153.743 bonds (distance) P-C4' energy: -168.796 flat angles C4'-P-C4' energy: -194.845 flat angles P-C4'-P energy: -139.843 tors. eta vs tors. theta energy: -256.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -3066.423230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.423230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.423230 (E_RNA) where: Base-Base interactions energy: -2171.949 where: short stacking energy: -861.304 Base-Backbone interact. energy: 0.659 local terms energy: -895.132750 where: bonds (distance) C4'-P energy: -158.788 bonds (distance) P-C4' energy: -164.854 flat angles C4'-P-C4' energy: -192.991 flat angles P-C4'-P energy: -130.492 tors. eta vs tors. theta energy: -248.008 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: 83 Temperature: 1.200000 Total energy: -2821.211717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.211717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.211717 (E_RNA) where: Base-Base interactions energy: -2006.961 where: short stacking energy: -807.809 Base-Backbone interact. energy: -3.508 local terms energy: -810.742214 where: bonds (distance) C4'-P energy: -157.761 bonds (distance) P-C4' energy: -138.873 flat angles C4'-P-C4' energy: -186.444 flat angles P-C4'-P energy: -112.838 tors. eta vs tors. theta energy: -214.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -2670.542319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.542319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.542319 (E_RNA) where: Base-Base interactions energy: -1900.469 where: short stacking energy: -786.524 Base-Backbone interact. energy: 4.631 local terms energy: -774.704031 where: bonds (distance) C4'-P energy: -143.318 bonds (distance) P-C4' energy: -117.207 flat angles C4'-P-C4' energy: -173.723 flat angles P-C4'-P energy: -121.514 tors. eta vs tors. theta energy: -218.942 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: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -2167.033036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.033036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.033036 (E_RNA) where: Base-Base interactions energy: -1477.956 where: short stacking energy: -611.430 Base-Backbone interact. energy: -0.528 local terms energy: -688.548561 where: bonds (distance) C4'-P energy: -148.431 bonds (distance) P-C4' energy: -140.502 flat angles C4'-P-C4' energy: -149.885 flat angles P-C4'-P energy: -118.779 tors. eta vs tors. theta energy: -130.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -2016.713207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.713207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.713207 (E_RNA) where: Base-Base interactions energy: -1353.053 where: short stacking energy: -563.913 Base-Backbone interact. energy: 2.921 local terms energy: -666.580839 where: bonds (distance) C4'-P energy: -145.142 bonds (distance) P-C4' energy: -154.203 flat angles C4'-P-C4' energy: -148.006 flat angles P-C4'-P energy: -90.716 tors. eta vs tors. theta energy: -128.513 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: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -3640.507015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3640.507015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3640.507015 (E_RNA) where: Base-Base interactions energy: -2591.348 where: short stacking energy: -1039.837 Base-Backbone interact. energy: -2.266 local terms energy: -1046.893269 where: bonds (distance) C4'-P energy: -198.404 bonds (distance) P-C4' energy: -181.319 flat angles C4'-P-C4' energy: -214.507 flat angles P-C4'-P energy: -155.221 tors. eta vs tors. theta energy: -297.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -3457.620971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.620971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.620971 (E_RNA) where: Base-Base interactions energy: -2493.153 where: short stacking energy: -955.453 Base-Backbone interact. energy: -4.178 local terms energy: -960.289544 where: bonds (distance) C4'-P energy: -159.067 bonds (distance) P-C4' energy: -185.905 flat angles C4'-P-C4' energy: -201.812 flat angles P-C4'-P energy: -150.504 tors. eta vs tors. theta energy: -263.001 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: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -3274.953614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.953614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.953614 (E_RNA) where: Base-Base interactions energy: -2351.863 where: short stacking energy: -917.748 Base-Backbone interact. energy: -1.569 local terms energy: -921.521822 where: bonds (distance) C4'-P energy: -175.604 bonds (distance) P-C4' energy: -161.307 flat angles C4'-P-C4' energy: -202.331 flat angles P-C4'-P energy: -131.036 tors. eta vs tors. theta energy: -251.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -3236.324006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.324006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.324006 (E_RNA) where: Base-Base interactions energy: -2325.400 where: short stacking energy: -927.926 Base-Backbone interact. energy: 0.929 local terms energy: -911.853263 where: bonds (distance) C4'-P energy: -144.507 bonds (distance) P-C4' energy: -161.495 flat angles C4'-P-C4' energy: -208.890 flat angles P-C4'-P energy: -134.961 tors. eta vs tors. theta energy: -262.001 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: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -3211.423382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.423382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.423382 (E_RNA) where: Base-Base interactions energy: -2319.256 where: short stacking energy: -920.403 Base-Backbone interact. energy: -1.053 local terms energy: -891.114745 where: bonds (distance) C4'-P energy: -163.626 bonds (distance) P-C4' energy: -167.337 flat angles C4'-P-C4' energy: -181.394 flat angles P-C4'-P energy: -125.164 tors. eta vs tors. theta energy: -253.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -3079.821993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.821993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.821993 (E_RNA) where: Base-Base interactions energy: -2174.344 where: short stacking energy: -868.387 Base-Backbone interact. energy: -3.142 local terms energy: -902.335753 where: bonds (distance) C4'-P energy: -154.115 bonds (distance) P-C4' energy: -171.101 flat angles C4'-P-C4' energy: -191.804 flat angles P-C4'-P energy: -130.471 tors. eta vs tors. theta energy: -254.845 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: 84 Temperature: 1.200000 Total energy: -2819.420770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.420770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.420770 (E_RNA) where: Base-Base interactions energy: -1998.949 where: short stacking energy: -786.658 Base-Backbone interact. energy: 6.905 local terms energy: -827.376121 where: bonds (distance) C4'-P energy: -148.421 bonds (distance) P-C4' energy: -177.373 flat angles C4'-P-C4' energy: -164.241 flat angles P-C4'-P energy: -116.747 tors. eta vs tors. theta energy: -220.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -2719.562348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.562348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.562348 (E_RNA) where: Base-Base interactions energy: -1900.617 where: short stacking energy: -781.463 Base-Backbone interact. energy: 1.644 local terms energy: -820.589584 where: bonds (distance) C4'-P energy: -148.758 bonds (distance) P-C4' energy: -150.588 flat angles C4'-P-C4' energy: -180.403 flat angles P-C4'-P energy: -122.072 tors. eta vs tors. theta energy: -218.768 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: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -2195.114656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.114656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.114656 (E_RNA) where: Base-Base interactions energy: -1485.253 where: short stacking energy: -596.749 Base-Backbone interact. energy: -2.851 local terms energy: -707.010398 where: bonds (distance) C4'-P energy: -148.190 bonds (distance) P-C4' energy: -149.402 flat angles C4'-P-C4' energy: -171.139 flat angles P-C4'-P energy: -109.411 tors. eta vs tors. theta energy: -128.869 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: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1969.569540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.569540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.569540 (E_RNA) where: Base-Base interactions energy: -1324.545 where: short stacking energy: -545.492 Base-Backbone interact. energy: -0.051 local terms energy: -644.973552 where: bonds (distance) C4'-P energy: -146.436 bonds (distance) P-C4' energy: -160.898 flat angles C4'-P-C4' energy: -146.711 flat angles P-C4'-P energy: -85.742 tors. eta vs tors. theta energy: -105.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -3604.028409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.028409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3604.028409 (E_RNA) where: Base-Base interactions energy: -2585.677 where: short stacking energy: -1054.914 Base-Backbone interact. energy: 2.182 local terms energy: -1020.533753 where: bonds (distance) C4'-P energy: -184.911 bonds (distance) P-C4' energy: -174.478 flat angles C4'-P-C4' energy: -211.401 flat angles P-C4'-P energy: -150.748 tors. eta vs tors. theta energy: -298.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -3450.843689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.843689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.843689 (E_RNA) where: Base-Base interactions energy: -2502.117 where: short stacking energy: -980.675 Base-Backbone interact. energy: -1.186 local terms energy: -947.540456 where: bonds (distance) C4'-P energy: -164.148 bonds (distance) P-C4' energy: -187.930 flat angles C4'-P-C4' energy: -197.571 flat angles P-C4'-P energy: -124.885 tors. eta vs tors. theta energy: -273.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -3276.348485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.348485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.348485 (E_RNA) where: Base-Base interactions energy: -2333.809 where: short stacking energy: -906.976 Base-Backbone interact. energy: -0.263 local terms energy: -942.276760 where: bonds (distance) C4'-P energy: -180.785 bonds (distance) P-C4' energy: -179.722 flat angles C4'-P-C4' energy: -201.782 flat angles P-C4'-P energy: -137.304 tors. eta vs tors. theta energy: -242.685 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: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -3246.119481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.119481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.119481 (E_RNA) where: Base-Base interactions energy: -2311.800 where: short stacking energy: -912.571 Base-Backbone interact. energy: -0.856 local terms energy: -933.463969 where: bonds (distance) C4'-P energy: -164.411 bonds (distance) P-C4' energy: -168.403 flat angles C4'-P-C4' energy: -208.356 flat angles P-C4'-P energy: -130.964 tors. eta vs tors. theta energy: -261.331 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: 85 Temperature: 1.100000 Total energy: -3164.612029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.612029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.612029 (E_RNA) where: Base-Base interactions energy: -2240.952 where: short stacking energy: -879.384 Base-Backbone interact. energy: 2.113 local terms energy: -925.772126 where: bonds (distance) C4'-P energy: -179.172 bonds (distance) P-C4' energy: -166.636 flat angles C4'-P-C4' energy: -195.641 flat angles P-C4'-P energy: -136.523 tors. eta vs tors. theta energy: -247.800 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: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -3087.786719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.786719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.786719 (E_RNA) where: Base-Base interactions energy: -2206.482 where: short stacking energy: -863.036 Base-Backbone interact. energy: -3.328 local terms energy: -877.977067 where: bonds (distance) C4'-P energy: -149.117 bonds (distance) P-C4' energy: -165.099 flat angles C4'-P-C4' energy: -208.373 flat angles P-C4'-P energy: -116.648 tors. eta vs tors. theta energy: -238.741 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: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -2863.480912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.480912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.480912 (E_RNA) where: Base-Base interactions energy: -2004.760 where: short stacking energy: -817.156 Base-Backbone interact. energy: -0.265 local terms energy: -858.455840 where: bonds (distance) C4'-P energy: -163.094 bonds (distance) P-C4' energy: -153.145 flat angles C4'-P-C4' energy: -188.299 flat angles P-C4'-P energy: -122.889 tors. eta vs tors. theta energy: -231.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -2669.374197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.374197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.374197 (E_RNA) where: Base-Base interactions energy: -1898.598 where: short stacking energy: -768.409 Base-Backbone interact. energy: 3.607 local terms energy: -774.383358 where: bonds (distance) C4'-P energy: -155.625 bonds (distance) P-C4' energy: -130.434 flat angles C4'-P-C4' energy: -178.266 flat angles P-C4'-P energy: -94.694 tors. eta vs tors. theta energy: -215.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -2191.436918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.436918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.436918 (E_RNA) where: Base-Base interactions energy: -1497.064 where: short stacking energy: -653.249 Base-Backbone interact. energy: 0.346 local terms energy: -694.718635 where: bonds (distance) C4'-P energy: -135.447 bonds (distance) P-C4' energy: -161.833 flat angles C4'-P-C4' energy: -168.171 flat angles P-C4'-P energy: -81.739 tors. eta vs tors. theta energy: -147.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -2059.448531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.448531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.448531 (E_RNA) where: Base-Base interactions energy: -1368.268 where: short stacking energy: -563.903 Base-Backbone interact. energy: -2.784 local terms energy: -688.396403 where: bonds (distance) C4'-P energy: -134.318 bonds (distance) P-C4' energy: -140.970 flat angles C4'-P-C4' energy: -170.058 flat angles P-C4'-P energy: -108.109 tors. eta vs tors. theta energy: -134.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -3614.710934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.710934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.710934 (E_RNA) where: Base-Base interactions energy: -2570.668 where: short stacking energy: -1037.441 Base-Backbone interact. energy: -1.448 local terms energy: -1042.595405 where: bonds (distance) C4'-P energy: -180.256 bonds (distance) P-C4' energy: -201.007 flat angles C4'-P-C4' energy: -223.031 flat angles P-C4'-P energy: -138.678 tors. eta vs tors. theta energy: -299.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -3479.111215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.111215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.111215 (E_RNA) where: Base-Base interactions energy: -2526.517 where: short stacking energy: -991.720 Base-Backbone interact. energy: 2.092 local terms energy: -954.685693 where: bonds (distance) C4'-P energy: -182.417 bonds (distance) P-C4' energy: -162.451 flat angles C4'-P-C4' energy: -201.626 flat angles P-C4'-P energy: -135.833 tors. eta vs tors. theta energy: -272.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -3310.868668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.868668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.868668 (E_RNA) where: Base-Base interactions energy: -2398.852 where: short stacking energy: -963.423 Base-Backbone interact. energy: 2.018 local terms energy: -914.034387 where: bonds (distance) C4'-P energy: -160.064 bonds (distance) P-C4' energy: -156.304 flat angles C4'-P-C4' energy: -208.188 flat angles P-C4'-P energy: -134.490 tors. eta vs tors. theta energy: -254.990 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: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -3246.613840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.613840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.613840 (E_RNA) where: Base-Base interactions energy: -2316.997 where: short stacking energy: -919.204 Base-Backbone interact. energy: -2.555 local terms energy: -927.061746 where: bonds (distance) C4'-P energy: -177.811 bonds (distance) P-C4' energy: -174.099 flat angles C4'-P-C4' energy: -202.345 flat angles P-C4'-P energy: -123.122 tors. eta vs tors. theta energy: -249.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -3145.934006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.934006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.934006 (E_RNA) where: Base-Base interactions energy: -2259.000 where: short stacking energy: -867.575 Base-Backbone interact. energy: 1.126 local terms energy: -888.060186 where: bonds (distance) C4'-P energy: -170.238 bonds (distance) P-C4' energy: -163.820 flat angles C4'-P-C4' energy: -191.414 flat angles P-C4'-P energy: -127.900 tors. eta vs tors. theta energy: -234.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -3035.498743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.498743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.498743 (E_RNA) where: Base-Base interactions energy: -2160.053 where: short stacking energy: -871.551 Base-Backbone interact. energy: -2.854 local terms energy: -872.592072 where: bonds (distance) C4'-P energy: -137.059 bonds (distance) P-C4' energy: -163.085 flat angles C4'-P-C4' energy: -203.633 flat angles P-C4'-P energy: -124.729 tors. eta vs tors. theta energy: -244.086 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: 86 Temperature: 1.200000 Total energy: -2934.963130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.963130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.963130 (E_RNA) where: Base-Base interactions energy: -2084.938 where: short stacking energy: -852.848 Base-Backbone interact. energy: 1.760 local terms energy: -851.785273 where: bonds (distance) C4'-P energy: -147.461 bonds (distance) P-C4' energy: -163.812 flat angles C4'-P-C4' energy: -192.810 flat angles P-C4'-P energy: -116.883 tors. eta vs tors. theta energy: -230.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -2679.890227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.890227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.890227 (E_RNA) where: Base-Base interactions energy: -1897.927 where: short stacking energy: -773.240 Base-Backbone interact. energy: -1.373 local terms energy: -780.590379 where: bonds (distance) C4'-P energy: -145.263 bonds (distance) P-C4' energy: -151.557 flat angles C4'-P-C4' energy: -173.530 flat angles P-C4'-P energy: -102.673 tors. eta vs tors. theta energy: -207.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -2221.403397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.403397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.403397 (E_RNA) where: Base-Base interactions energy: -1554.911 where: short stacking energy: -632.693 Base-Backbone interact. energy: 4.002 local terms energy: -670.495233 where: bonds (distance) C4'-P energy: -133.312 bonds (distance) P-C4' energy: -141.062 flat angles C4'-P-C4' energy: -162.836 flat angles P-C4'-P energy: -85.035 tors. eta vs tors. theta energy: -148.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1934.089893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.089893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.089893 (E_RNA) where: Base-Base interactions energy: -1251.455 where: short stacking energy: -538.420 Base-Backbone interact. energy: -2.598 local terms energy: -680.036628 where: bonds (distance) C4'-P energy: -160.545 bonds (distance) P-C4' energy: -146.815 flat angles C4'-P-C4' energy: -162.238 flat angles P-C4'-P energy: -95.515 tors. eta vs tors. theta energy: -114.923 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: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -3564.793984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3564.793984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3564.793984 (E_RNA) where: Base-Base interactions energy: -2542.770 where: short stacking energy: -1038.720 Base-Backbone interact. energy: -0.893 local terms energy: -1021.131283 where: bonds (distance) C4'-P energy: -166.326 bonds (distance) P-C4' energy: -179.675 flat angles C4'-P-C4' energy: -224.711 flat angles P-C4'-P energy: -145.555 tors. eta vs tors. theta energy: -304.865 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: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -3486.849919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3486.849919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3486.849919 (E_RNA) where: Base-Base interactions energy: -2529.440 where: short stacking energy: -1022.395 Base-Backbone interact. energy: 0.648 local terms energy: -958.058314 where: bonds (distance) C4'-P energy: -159.872 bonds (distance) P-C4' energy: -171.797 flat angles C4'-P-C4' energy: -216.993 flat angles P-C4'-P energy: -138.776 tors. eta vs tors. theta energy: -270.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -3282.641510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.641510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.641510 (E_RNA) where: Base-Base interactions energy: -2349.543 where: short stacking energy: -920.064 Base-Backbone interact. energy: -4.100 local terms energy: -928.998797 where: bonds (distance) C4'-P energy: -170.551 bonds (distance) P-C4' energy: -180.836 flat angles C4'-P-C4' energy: -194.766 flat angles P-C4'-P energy: -130.019 tors. eta vs tors. theta energy: -252.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -3276.258036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.258036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.258036 (E_RNA) where: Base-Base interactions energy: -2344.901 where: short stacking energy: -918.201 Base-Backbone interact. energy: 0.322 local terms energy: -931.678830 where: bonds (distance) C4'-P energy: -153.340 bonds (distance) P-C4' energy: -168.497 flat angles C4'-P-C4' energy: -196.478 flat angles P-C4'-P energy: -153.295 tors. eta vs tors. theta energy: -260.070 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: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -3232.423963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.423963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.423963 (E_RNA) where: Base-Base interactions energy: -2335.675 where: short stacking energy: -912.907 Base-Backbone interact. energy: -0.061 local terms energy: -896.687850 where: bonds (distance) C4'-P energy: -168.829 bonds (distance) P-C4' energy: -164.421 flat angles C4'-P-C4' energy: -189.234 flat angles P-C4'-P energy: -125.608 tors. eta vs tors. theta energy: -248.596 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: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2996.991811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.991811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.991811 (E_RNA) where: Base-Base interactions energy: -2129.589 where: short stacking energy: -855.375 Base-Backbone interact. energy: -0.076 local terms energy: -867.327405 where: bonds (distance) C4'-P energy: -150.870 bonds (distance) P-C4' energy: -160.792 flat angles C4'-P-C4' energy: -179.359 flat angles P-C4'-P energy: -118.051 tors. eta vs tors. theta energy: -258.254 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: 87 Temperature: 1.200000 Total energy: -2837.417363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.417363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.417363 (E_RNA) where: Base-Base interactions energy: -2039.718 where: short stacking energy: -792.146 Base-Backbone interact. energy: -2.126 local terms energy: -795.572540 where: bonds (distance) C4'-P energy: -125.863 bonds (distance) P-C4' energy: -179.815 flat angles C4'-P-C4' energy: -161.805 flat angles P-C4'-P energy: -119.922 tors. eta vs tors. theta energy: -208.169 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: 8, replica: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -2711.749236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.749236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.749236 (E_RNA) where: Base-Base interactions energy: -1949.788 where: short stacking energy: -784.275 Base-Backbone interact. energy: -1.715 local terms energy: -760.245914 where: bonds (distance) C4'-P energy: -126.562 bonds (distance) P-C4' energy: -126.260 flat angles C4'-P-C4' energy: -164.795 flat angles P-C4'-P energy: -117.553 tors. eta vs tors. theta energy: -225.076 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: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -2221.765459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.765459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.765459 (E_RNA) where: Base-Base interactions energy: -1514.928 where: short stacking energy: -629.836 Base-Backbone interact. energy: -1.206 local terms energy: -705.631541 where: bonds (distance) C4'-P energy: -140.393 bonds (distance) P-C4' energy: -146.042 flat angles C4'-P-C4' energy: -175.173 flat angles P-C4'-P energy: -88.862 tors. eta vs tors. theta energy: -155.162 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: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1922.422181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.422181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.422181 (E_RNA) where: Base-Base interactions energy: -1285.763 where: short stacking energy: -553.025 Base-Backbone interact. energy: 2.924 local terms energy: -639.583428 where: bonds (distance) C4'-P energy: -135.383 bonds (distance) P-C4' energy: -142.666 flat angles C4'-P-C4' energy: -142.088 flat angles P-C4'-P energy: -101.056 tors. eta vs tors. theta energy: -118.390 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: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -3546.884066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3546.884066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3546.884066 (E_RNA) where: Base-Base interactions energy: -2554.540 where: short stacking energy: -996.557 Base-Backbone interact. energy: 2.845 local terms energy: -995.189190 where: bonds (distance) C4'-P energy: -185.255 bonds (distance) P-C4' energy: -179.046 flat angles C4'-P-C4' energy: -202.828 flat angles P-C4'-P energy: -152.685 tors. eta vs tors. theta energy: -275.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -3574.801294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3574.801294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3574.801294 (E_RNA) where: Base-Base interactions energy: -2576.078 where: short stacking energy: -1022.024 Base-Backbone interact. energy: -2.122 local terms energy: -996.600939 where: bonds (distance) C4'-P energy: -180.520 bonds (distance) P-C4' energy: -186.573 flat angles C4'-P-C4' energy: -208.740 flat angles P-C4'-P energy: -131.589 tors. eta vs tors. theta energy: -289.179 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: 88 Temperature: 1.000000 Total energy: -3327.022264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.022264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.022264 (E_RNA) where: Base-Base interactions energy: -2386.928 where: short stacking energy: -973.482 Base-Backbone interact. energy: -2.182 local terms energy: -937.912448 where: bonds (distance) C4'-P energy: -157.673 bonds (distance) P-C4' energy: -171.240 flat angles C4'-P-C4' energy: -195.615 flat angles P-C4'-P energy: -144.707 tors. eta vs tors. theta energy: -268.678 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: 88 Temperature: 1.050000 Total energy: -3212.089536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.089536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.089536 (E_RNA) where: Base-Base interactions energy: -2335.368 where: short stacking energy: -914.759 Base-Backbone interact. energy: -0.978 local terms energy: -875.743435 where: bonds (distance) C4'-P energy: -168.597 bonds (distance) P-C4' energy: -162.034 flat angles C4'-P-C4' energy: -184.473 flat angles P-C4'-P energy: -110.298 tors. eta vs tors. theta energy: -250.341 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: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -3135.866531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.866531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.866531 (E_RNA) where: Base-Base interactions energy: -2246.906 where: short stacking energy: -865.083 Base-Backbone interact. energy: 0.931 local terms energy: -889.891181 where: bonds (distance) C4'-P energy: -157.854 bonds (distance) P-C4' energy: -176.208 flat angles C4'-P-C4' energy: -192.921 flat angles P-C4'-P energy: -128.521 tors. eta vs tors. theta energy: -234.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -3023.572052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.572052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.572052 (E_RNA) where: Base-Base interactions energy: -2130.231 where: short stacking energy: -849.137 Base-Backbone interact. energy: -0.574 local terms energy: -892.766477 where: bonds (distance) C4'-P energy: -165.675 bonds (distance) P-C4' energy: -157.677 flat angles C4'-P-C4' energy: -203.846 flat angles P-C4'-P energy: -117.801 tors. eta vs tors. theta energy: -247.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -2888.150123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.150123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.150123 (E_RNA) where: Base-Base interactions energy: -2069.672 where: short stacking energy: -847.792 Base-Backbone interact. energy: 6.611 local terms energy: -825.089326 where: bonds (distance) C4'-P energy: -141.361 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -185.113 flat angles P-C4'-P energy: -118.793 tors. eta vs tors. theta energy: -239.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -2694.484546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.484546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.484546 (E_RNA) where: Base-Base interactions energy: -1924.721 where: short stacking energy: -771.854 Base-Backbone interact. energy: 0.867 local terms energy: -770.631280 where: bonds (distance) C4'-P energy: -144.810 bonds (distance) P-C4' energy: -135.503 flat angles C4'-P-C4' energy: -168.909 flat angles P-C4'-P energy: -125.332 tors. eta vs tors. theta energy: -196.078 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: 88 Temperature: 1.300000 Total energy: -2218.226256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.226256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.226256 (E_RNA) where: Base-Base interactions energy: -1539.835 where: short stacking energy: -664.980 Base-Backbone interact. energy: -3.611 local terms energy: -674.779579 where: bonds (distance) C4'-P energy: -147.654 bonds (distance) P-C4' energy: -134.412 flat angles C4'-P-C4' energy: -158.379 flat angles P-C4'-P energy: -82.547 tors. eta vs tors. theta energy: -151.788 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: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1977.250058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.250058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.250058 (E_RNA) where: Base-Base interactions energy: -1323.892 where: short stacking energy: -565.075 Base-Backbone interact. energy: -0.474 local terms energy: -652.884451 where: bonds (distance) C4'-P energy: -126.997 bonds (distance) P-C4' energy: -145.063 flat angles C4'-P-C4' energy: -166.018 flat angles P-C4'-P energy: -96.459 tors. eta vs tors. theta energy: -118.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3549.472735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3549.472735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3549.472735 (E_RNA) where: Base-Base interactions energy: -2568.064 where: short stacking energy: -1008.246 Base-Backbone interact. energy: -1.350 local terms energy: -980.058984 where: bonds (distance) C4'-P energy: -180.780 bonds (distance) P-C4' energy: -161.940 flat angles C4'-P-C4' energy: -221.347 flat angles P-C4'-P energy: -142.370 tors. eta vs tors. theta energy: -273.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -3619.146535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3619.146535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3619.146535 (E_RNA) where: Base-Base interactions energy: -2569.504 where: short stacking energy: -1057.002 Base-Backbone interact. energy: -0.645 local terms energy: -1048.997061 where: bonds (distance) C4'-P energy: -181.991 bonds (distance) P-C4' energy: -173.216 flat angles C4'-P-C4' energy: -220.045 flat angles P-C4'-P energy: -153.915 tors. eta vs tors. theta energy: -319.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -3354.111562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.111562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.111562 (E_RNA) where: Base-Base interactions energy: -2387.964 where: short stacking energy: -949.506 Base-Backbone interact. energy: 1.057 local terms energy: -967.204874 where: bonds (distance) C4'-P energy: -179.819 bonds (distance) P-C4' energy: -180.235 flat angles C4'-P-C4' energy: -215.241 flat angles P-C4'-P energy: -149.861 tors. eta vs tors. theta energy: -242.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -3210.296974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.296974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.296974 (E_RNA) where: Base-Base interactions energy: -2314.445 where: short stacking energy: -900.785 Base-Backbone interact. energy: -1.137 local terms energy: -894.714682 where: bonds (distance) C4'-P energy: -175.185 bonds (distance) P-C4' energy: -159.602 flat angles C4'-P-C4' energy: -188.340 flat angles P-C4'-P energy: -138.529 tors. eta vs tors. theta energy: -233.059 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: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -3176.998809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.998809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.998809 (E_RNA) where: Base-Base interactions energy: -2270.782 where: short stacking energy: -873.169 Base-Backbone interact. energy: 0.867 local terms energy: -907.084125 where: bonds (distance) C4'-P energy: -163.239 bonds (distance) P-C4' energy: -161.978 flat angles C4'-P-C4' energy: -202.837 flat angles P-C4'-P energy: -131.038 tors. eta vs tors. theta energy: -247.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2955.421754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.421754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.421754 (E_RNA) where: Base-Base interactions energy: -2105.972 where: short stacking energy: -849.306 Base-Backbone interact. energy: 4.777 local terms energy: -854.226226 where: bonds (distance) C4'-P energy: -147.414 bonds (distance) P-C4' energy: -150.249 flat angles C4'-P-C4' energy: -200.634 flat angles P-C4'-P energy: -124.681 tors. eta vs tors. theta energy: -231.248 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: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2963.228643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.228643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.228643 (E_RNA) where: Base-Base interactions energy: -2127.198 where: short stacking energy: -852.076 Base-Backbone interact. energy: 4.181 local terms energy: -840.211262 where: bonds (distance) C4'-P energy: -136.401 bonds (distance) P-C4' energy: -144.998 flat angles C4'-P-C4' energy: -186.985 flat angles P-C4'-P energy: -131.739 tors. eta vs tors. theta energy: -240.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -2753.357339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.357339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.357339 (E_RNA) where: Base-Base interactions energy: -1969.129 where: short stacking energy: -793.583 Base-Backbone interact. energy: -2.037 local terms energy: -782.191532 where: bonds (distance) C4'-P energy: -127.507 bonds (distance) P-C4' energy: -142.165 flat angles C4'-P-C4' energy: -184.359 flat angles P-C4'-P energy: -117.457 tors. eta vs tors. theta energy: -210.704 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: 89 Temperature: 1.300000 Total energy: -2154.667824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.667824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.667824 (E_RNA) where: Base-Base interactions energy: -1476.416 where: short stacking energy: -625.872 Base-Backbone interact. energy: -0.129 local terms energy: -678.122264 where: bonds (distance) C4'-P energy: -157.589 bonds (distance) P-C4' energy: -125.923 flat angles C4'-P-C4' energy: -164.767 flat angles P-C4'-P energy: -90.823 tors. eta vs tors. theta energy: -139.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1994.604772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.604772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.604772 (E_RNA) where: Base-Base interactions energy: -1366.230 where: short stacking energy: -572.662 Base-Backbone interact. energy: -1.395 local terms energy: -626.980492 where: bonds (distance) C4'-P energy: -127.470 bonds (distance) P-C4' energy: -137.255 flat angles C4'-P-C4' energy: -164.126 flat angles P-C4'-P energy: -78.909 tors. eta vs tors. theta energy: -119.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -3573.891216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3573.891216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3573.891216 (E_RNA) where: Base-Base interactions energy: -2572.758 where: short stacking energy: -1019.812 Base-Backbone interact. energy: -5.263 local terms energy: -995.869932 where: bonds (distance) C4'-P energy: -185.783 bonds (distance) P-C4' energy: -177.288 flat angles C4'-P-C4' energy: -214.697 flat angles P-C4'-P energy: -138.984 tors. eta vs tors. theta energy: -279.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -3552.064184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.064184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.064184 (E_RNA) where: Base-Base interactions energy: -2518.210 where: short stacking energy: -999.014 Base-Backbone interact. energy: -0.927 local terms energy: -1032.927613 where: bonds (distance) C4'-P energy: -173.506 bonds (distance) P-C4' energy: -200.093 flat angles C4'-P-C4' energy: -213.193 flat angles P-C4'-P energy: -148.815 tors. eta vs tors. theta energy: -297.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -3373.106555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3373.106555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3373.106555 (E_RNA) where: Base-Base interactions energy: -2391.216 where: short stacking energy: -963.865 Base-Backbone interact. energy: 1.381 local terms energy: -983.271544 where: bonds (distance) C4'-P energy: -175.830 bonds (distance) P-C4' energy: -177.752 flat angles C4'-P-C4' energy: -207.898 flat angles P-C4'-P energy: -147.819 tors. eta vs tors. theta energy: -273.971 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: 4, replica: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -3216.577445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.577445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.577445 (E_RNA) where: Base-Base interactions energy: -2306.777 where: short stacking energy: -877.614 Base-Backbone interact. energy: -1.943 local terms energy: -907.857187 where: bonds (distance) C4'-P energy: -177.397 bonds (distance) P-C4' energy: -167.291 flat angles C4'-P-C4' energy: -184.591 flat angles P-C4'-P energy: -142.657 tors. eta vs tors. theta energy: -235.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -3197.834336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.834336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.834336 (E_RNA) where: Base-Base interactions energy: -2314.453 where: short stacking energy: -907.896 Base-Backbone interact. energy: -0.053 local terms energy: -883.328392 where: bonds (distance) C4'-P energy: -151.101 bonds (distance) P-C4' energy: -178.525 flat angles C4'-P-C4' energy: -183.962 flat angles P-C4'-P energy: -112.723 tors. eta vs tors. theta energy: -257.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2992.968910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.968910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.968910 (E_RNA) where: Base-Base interactions energy: -2129.322 where: short stacking energy: -835.913 Base-Backbone interact. energy: -3.657 local terms energy: -859.989754 where: bonds (distance) C4'-P energy: -152.753 bonds (distance) P-C4' energy: -163.454 flat angles C4'-P-C4' energy: -182.981 flat angles P-C4'-P energy: -126.092 tors. eta vs tors. theta energy: -234.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -2943.957733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.957733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.957733 (E_RNA) where: Base-Base interactions energy: -2089.483 where: short stacking energy: -835.394 Base-Backbone interact. energy: 0.887 local terms energy: -855.361846 where: bonds (distance) C4'-P energy: -139.249 bonds (distance) P-C4' energy: -169.978 flat angles C4'-P-C4' energy: -198.858 flat angles P-C4'-P energy: -108.627 tors. eta vs tors. theta energy: -238.649 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: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -2691.118850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.118850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.118850 (E_RNA) where: Base-Base interactions energy: -1924.417 where: short stacking energy: -773.968 Base-Backbone interact. energy: 0.350 local terms energy: -767.052063 where: bonds (distance) C4'-P energy: -150.212 bonds (distance) P-C4' energy: -135.958 flat angles C4'-P-C4' energy: -171.070 flat angles P-C4'-P energy: -102.906 tors. eta vs tors. theta energy: -206.906 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: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -2223.234622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.234622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.234622 (E_RNA) where: Base-Base interactions energy: -1543.873 where: short stacking energy: -626.914 Base-Backbone interact. energy: 11.431 local terms energy: -690.792769 where: bonds (distance) C4'-P energy: -135.078 bonds (distance) P-C4' energy: -160.519 flat angles C4'-P-C4' energy: -164.900 flat angles P-C4'-P energy: -97.685 tors. eta vs tors. theta energy: -132.612 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: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1984.361847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.361847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.361847 (E_RNA) where: Base-Base interactions energy: -1334.265 where: short stacking energy: -572.189 Base-Backbone interact. energy: -1.330 local terms energy: -648.767234 where: bonds (distance) C4'-P energy: -146.090 bonds (distance) P-C4' energy: -148.844 flat angles C4'-P-C4' energy: -144.357 flat angles P-C4'-P energy: -86.497 tors. eta vs tors. theta energy: -122.981 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: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -3531.585733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3531.585733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3531.585733 (E_RNA) where: Base-Base interactions energy: -2564.679 where: short stacking energy: -1002.768 Base-Backbone interact. energy: -0.321 local terms energy: -966.585730 where: bonds (distance) C4'-P energy: -167.957 bonds (distance) P-C4' energy: -185.528 flat angles C4'-P-C4' energy: -197.519 flat angles P-C4'-P energy: -153.111 tors. eta vs tors. theta energy: -262.471 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: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -3568.035138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.035138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.035138 (E_RNA) where: Base-Base interactions energy: -2550.574 where: short stacking energy: -1025.931 Base-Backbone interact. energy: 1.711 local terms energy: -1019.171912 where: bonds (distance) C4'-P energy: -186.673 bonds (distance) P-C4' energy: -168.723 flat angles C4'-P-C4' energy: -221.510 flat angles P-C4'-P energy: -153.619 tors. eta vs tors. theta energy: -288.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -3368.094834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.094834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.094834 (E_RNA) where: Base-Base interactions energy: -2394.306 where: short stacking energy: -957.146 Base-Backbone interact. energy: -0.676 local terms energy: -973.112930 where: bonds (distance) C4'-P energy: -178.418 bonds (distance) P-C4' energy: -175.316 flat angles C4'-P-C4' energy: -223.826 flat angles P-C4'-P energy: -131.861 tors. eta vs tors. theta energy: -263.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -3269.625156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.625156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.625156 (E_RNA) where: Base-Base interactions energy: -2322.835 where: short stacking energy: -905.693 Base-Backbone interact. energy: 2.451 local terms energy: -949.241110 where: bonds (distance) C4'-P energy: -178.701 bonds (distance) P-C4' energy: -171.084 flat angles C4'-P-C4' energy: -208.897 flat angles P-C4'-P energy: -141.081 tors. eta vs tors. theta energy: -249.478 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: 91 Temperature: 1.100000 Total energy: -3183.064259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.064259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.064259 (E_RNA) where: Base-Base interactions energy: -2292.951 where: short stacking energy: -890.972 Base-Backbone interact. energy: -1.957 local terms energy: -888.155989 where: bonds (distance) C4'-P energy: -176.385 bonds (distance) P-C4' energy: -151.138 flat angles C4'-P-C4' energy: -199.009 flat angles P-C4'-P energy: -132.565 tors. eta vs tors. theta energy: -229.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2984.679543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.679543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.679543 (E_RNA) where: Base-Base interactions energy: -2101.432 where: short stacking energy: -842.033 Base-Backbone interact. energy: -0.341 local terms energy: -882.907083 where: bonds (distance) C4'-P energy: -159.371 bonds (distance) P-C4' energy: -161.831 flat angles C4'-P-C4' energy: -197.407 flat angles P-C4'-P energy: -127.933 tors. eta vs tors. theta energy: -236.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -2872.355838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.355838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.355838 (E_RNA) where: Base-Base interactions energy: -2041.595 where: short stacking energy: -797.923 Base-Backbone interact. energy: -0.475 local terms energy: -830.285596 where: bonds (distance) C4'-P energy: -145.769 bonds (distance) P-C4' energy: -175.499 flat angles C4'-P-C4' energy: -174.830 flat angles P-C4'-P energy: -116.799 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: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -2696.860052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.860052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.860052 (E_RNA) where: Base-Base interactions energy: -1908.049 where: short stacking energy: -778.233 Base-Backbone interact. energy: -2.568 local terms energy: -786.242406 where: bonds (distance) C4'-P energy: -139.720 bonds (distance) P-C4' energy: -138.871 flat angles C4'-P-C4' energy: -180.626 flat angles P-C4'-P energy: -109.616 tors. eta vs tors. theta energy: -217.410 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: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -2359.612201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.612201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.612201 (E_RNA) where: Base-Base interactions energy: -1623.931 where: short stacking energy: -648.349 Base-Backbone interact. energy: 4.186 local terms energy: -739.867245 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -149.050 flat angles C4'-P-C4' energy: -162.284 flat angles P-C4'-P energy: -121.067 tors. eta vs tors. theta energy: -161.867 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: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1993.069024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.069024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.069024 (E_RNA) where: Base-Base interactions energy: -1346.633 where: short stacking energy: -561.006 Base-Backbone interact. energy: 0.363 local terms energy: -646.799349 where: bonds (distance) C4'-P energy: -125.323 bonds (distance) P-C4' energy: -136.066 flat angles C4'-P-C4' energy: -128.562 flat angles P-C4'-P energy: -130.831 tors. eta vs tors. theta energy: -126.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -3679.948797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3679.948797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3679.948797 (E_RNA) where: Base-Base interactions energy: -2650.895 where: short stacking energy: -1089.482 Base-Backbone interact. energy: 4.381 local terms energy: -1033.435119 where: bonds (distance) C4'-P energy: -183.469 bonds (distance) P-C4' energy: -164.567 flat angles C4'-P-C4' energy: -227.460 flat angles P-C4'-P energy: -144.056 tors. eta vs tors. theta energy: -313.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -3457.786789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.786789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.786789 (E_RNA) where: Base-Base interactions energy: -2485.468 where: short stacking energy: -976.494 Base-Backbone interact. energy: 3.186 local terms energy: -975.505132 where: bonds (distance) C4'-P energy: -185.284 bonds (distance) P-C4' energy: -173.552 flat angles C4'-P-C4' energy: -221.837 flat angles P-C4'-P energy: -126.483 tors. eta vs tors. theta energy: -268.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -3418.531119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3418.531119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3418.531119 (E_RNA) where: Base-Base interactions energy: -2449.660 where: short stacking energy: -976.280 Base-Backbone interact. energy: -1.597 local terms energy: -967.274602 where: bonds (distance) C4'-P energy: -176.436 bonds (distance) P-C4' energy: -172.606 flat angles C4'-P-C4' energy: -211.569 flat angles P-C4'-P energy: -132.902 tors. eta vs tors. theta energy: -273.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -3286.518127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3286.518127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3286.518127 (E_RNA) where: Base-Base interactions energy: -2351.450 where: short stacking energy: -911.912 Base-Backbone interact. energy: 0.955 local terms energy: -936.023251 where: bonds (distance) C4'-P energy: -156.552 bonds (distance) P-C4' energy: -175.883 flat angles C4'-P-C4' energy: -210.023 flat angles P-C4'-P energy: -139.188 tors. eta vs tors. theta energy: -254.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -3114.984756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.984756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.984756 (E_RNA) where: Base-Base interactions energy: -2244.206 where: short stacking energy: -854.819 Base-Backbone interact. energy: 0.857 local terms energy: -871.636642 where: bonds (distance) C4'-P energy: -172.645 bonds (distance) P-C4' energy: -166.735 flat angles C4'-P-C4' energy: -185.079 flat angles P-C4'-P energy: -115.468 tors. eta vs tors. theta energy: -231.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -3009.994577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.994577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.994577 (E_RNA) where: Base-Base interactions energy: -2127.644 where: short stacking energy: -859.396 Base-Backbone interact. energy: -2.791 local terms energy: -879.559008 where: bonds (distance) C4'-P energy: -177.741 bonds (distance) P-C4' energy: -156.943 flat angles C4'-P-C4' energy: -196.268 flat angles P-C4'-P energy: -119.509 tors. eta vs tors. theta energy: -229.098 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: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -2867.140841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.140841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.140841 (E_RNA) where: Base-Base interactions energy: -2020.774 where: short stacking energy: -809.735 Base-Backbone interact. energy: 4.036 local terms energy: -850.403245 where: bonds (distance) C4'-P energy: -151.560 bonds (distance) P-C4' energy: -159.921 flat angles C4'-P-C4' energy: -179.737 flat angles P-C4'-P energy: -125.637 tors. eta vs tors. theta energy: -233.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -2721.909813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.909813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.909813 (E_RNA) where: Base-Base interactions energy: -1898.603 where: short stacking energy: -763.785 Base-Backbone interact. energy: -2.110 local terms energy: -821.196643 where: bonds (distance) C4'-P energy: -146.708 bonds (distance) P-C4' energy: -161.722 flat angles C4'-P-C4' energy: -184.849 flat angles P-C4'-P energy: -113.976 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: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -2326.255982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.255982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.255982 (E_RNA) where: Base-Base interactions energy: -1617.404 where: short stacking energy: -670.941 Base-Backbone interact. energy: -2.795 local terms energy: -706.056891 where: bonds (distance) C4'-P energy: -130.526 bonds (distance) P-C4' energy: -148.601 flat angles C4'-P-C4' energy: -166.140 flat angles P-C4'-P energy: -99.484 tors. eta vs tors. theta energy: -161.306 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: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1967.783392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.783392 (E_RNA) where: Base-Base interactions energy: -1324.970 where: short stacking energy: -545.724 Base-Backbone interact. energy: -0.793 local terms energy: -642.020209 where: bonds (distance) C4'-P energy: -139.678 bonds (distance) P-C4' energy: -143.935 flat angles C4'-P-C4' energy: -162.848 flat angles P-C4'-P energy: -69.949 tors. eta vs tors. theta energy: -125.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3689.821193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3689.821193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3689.821193 (E_RNA) where: Base-Base interactions energy: -2647.540 where: short stacking energy: -1090.183 Base-Backbone interact. energy: -4.116 local terms energy: -1038.165298 where: bonds (distance) C4'-P energy: -173.217 bonds (distance) P-C4' energy: -190.009 flat angles C4'-P-C4' energy: -218.550 flat angles P-C4'-P energy: -144.798 tors. eta vs tors. theta energy: -311.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -3487.745667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.745667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.745667 (E_RNA) where: Base-Base interactions energy: -2480.320 where: short stacking energy: -998.116 Base-Backbone interact. energy: -1.028 local terms energy: -1006.397204 where: bonds (distance) C4'-P energy: -188.009 bonds (distance) P-C4' energy: -182.189 flat angles C4'-P-C4' energy: -196.304 flat angles P-C4'-P energy: -161.178 tors. eta vs tors. theta energy: -278.717 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: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -3417.222392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3417.222392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3417.222392 (E_RNA) where: Base-Base interactions energy: -2466.051 where: short stacking energy: -954.402 Base-Backbone interact. energy: -1.987 local terms energy: -949.184625 where: bonds (distance) C4'-P energy: -171.520 bonds (distance) P-C4' energy: -191.279 flat angles C4'-P-C4' energy: -210.006 flat angles P-C4'-P energy: -120.768 tors. eta vs tors. theta energy: -255.611 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: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -3250.820439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.820439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.820439 (E_RNA) where: Base-Base interactions energy: -2337.514 where: short stacking energy: -917.513 Base-Backbone interact. energy: -0.749 local terms energy: -912.557074 where: bonds (distance) C4'-P energy: -147.173 bonds (distance) P-C4' energy: -182.031 flat angles C4'-P-C4' energy: -199.411 flat angles P-C4'-P energy: -131.598 tors. eta vs tors. theta energy: -252.345 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: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -3068.190840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.190840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.190840 (E_RNA) where: Base-Base interactions energy: -2198.222 where: short stacking energy: -835.243 Base-Backbone interact. energy: 0.431 local terms energy: -870.400119 where: bonds (distance) C4'-P energy: -177.352 bonds (distance) P-C4' energy: -176.249 flat angles C4'-P-C4' energy: -176.330 flat angles P-C4'-P energy: -122.914 tors. eta vs tors. theta energy: -217.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2890.034917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.034917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.034917 (E_RNA) where: Base-Base interactions energy: -2071.877 where: short stacking energy: -837.252 Base-Backbone interact. energy: 0.460 local terms energy: -818.618462 where: bonds (distance) C4'-P energy: -137.730 bonds (distance) P-C4' energy: -163.630 flat angles C4'-P-C4' energy: -178.102 flat angles P-C4'-P energy: -107.552 tors. eta vs tors. theta energy: -231.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2882.735432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.735432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.735432 (E_RNA) where: Base-Base interactions energy: -2049.994 where: short stacking energy: -814.938 Base-Backbone interact. energy: -3.263 local terms energy: -829.478849 where: bonds (distance) C4'-P energy: -151.357 bonds (distance) P-C4' energy: -147.569 flat angles C4'-P-C4' energy: -193.220 flat angles P-C4'-P energy: -121.228 tors. eta vs tors. theta energy: -216.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -2655.228707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.228707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.228707 (E_RNA) where: Base-Base interactions energy: -1817.022 where: short stacking energy: -734.579 Base-Backbone interact. energy: -3.472 local terms energy: -834.734785 where: bonds (distance) C4'-P energy: -176.826 bonds (distance) P-C4' energy: -159.004 flat angles C4'-P-C4' energy: -180.438 flat angles P-C4'-P energy: -120.432 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: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -2346.738492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.738492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.738492 (E_RNA) where: Base-Base interactions energy: -1617.341 where: short stacking energy: -667.311 Base-Backbone interact. energy: 5.806 local terms energy: -735.203878 where: bonds (distance) C4'-P energy: -151.612 bonds (distance) P-C4' energy: -152.718 flat angles C4'-P-C4' energy: -161.457 flat angles P-C4'-P energy: -102.796 tors. eta vs tors. theta energy: -166.621 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: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1883.308275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.308275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.308275 (E_RNA) where: Base-Base interactions energy: -1240.528 where: short stacking energy: -526.696 Base-Backbone interact. energy: -0.937 local terms energy: -641.843872 where: bonds (distance) C4'-P energy: -137.183 bonds (distance) P-C4' energy: -147.388 flat angles C4'-P-C4' energy: -142.317 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -114.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -3721.779133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3721.779133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3721.779133 (E_RNA) where: Base-Base interactions energy: -2643.215 where: short stacking energy: -1065.243 Base-Backbone interact. energy: -2.656 local terms energy: -1075.907834 where: bonds (distance) C4'-P energy: -188.069 bonds (distance) P-C4' energy: -198.598 flat angles C4'-P-C4' energy: -221.724 flat angles P-C4'-P energy: -156.259 tors. eta vs tors. theta energy: -311.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -3494.381742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3494.381742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3494.381742 (E_RNA) where: Base-Base interactions energy: -2496.418 where: short stacking energy: -1001.658 Base-Backbone interact. energy: -1.375 local terms energy: -996.588926 where: bonds (distance) C4'-P energy: -172.541 bonds (distance) P-C4' energy: -182.564 flat angles C4'-P-C4' energy: -211.720 flat angles P-C4'-P energy: -146.165 tors. eta vs tors. theta energy: -283.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -3375.689619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3375.689619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3375.689619 (E_RNA) where: Base-Base interactions energy: -2445.688 where: short stacking energy: -965.666 Base-Backbone interact. energy: 0.659 local terms energy: -930.660978 where: bonds (distance) C4'-P energy: -176.116 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -196.398 flat angles P-C4'-P energy: -130.347 tors. eta vs tors. theta energy: -261.574 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: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -3270.207298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.207298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.207298 (E_RNA) where: Base-Base interactions energy: -2364.337 where: short stacking energy: -901.562 Base-Backbone interact. energy: 1.135 local terms energy: -907.005411 where: bonds (distance) C4'-P energy: -162.133 bonds (distance) P-C4' energy: -174.974 flat angles C4'-P-C4' energy: -191.970 flat angles P-C4'-P energy: -125.697 tors. eta vs tors. theta energy: -252.231 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: 5, replica: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -3113.783917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.783917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.783917 (E_RNA) where: Base-Base interactions energy: -2233.104 where: short stacking energy: -862.624 Base-Backbone interact. energy: -5.070 local terms energy: -875.610116 where: bonds (distance) C4'-P energy: -156.996 bonds (distance) P-C4' energy: -162.152 flat angles C4'-P-C4' energy: -185.082 flat angles P-C4'-P energy: -137.355 tors. eta vs tors. theta energy: -234.025 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: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2904.496505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.496505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.496505 (E_RNA) where: Base-Base interactions energy: -2066.205 where: short stacking energy: -826.648 Base-Backbone interact. energy: -2.315 local terms energy: -835.976444 where: bonds (distance) C4'-P energy: -144.246 bonds (distance) P-C4' energy: -146.391 flat angles C4'-P-C4' energy: -193.193 flat angles P-C4'-P energy: -121.497 tors. eta vs tors. theta energy: -230.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2887.078288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.078288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.078288 (E_RNA) where: Base-Base interactions energy: -2069.705 where: short stacking energy: -815.102 Base-Backbone interact. energy: -1.663 local terms energy: -815.710144 where: bonds (distance) C4'-P energy: -127.341 bonds (distance) P-C4' energy: -143.419 flat angles C4'-P-C4' energy: -198.483 flat angles P-C4'-P energy: -116.524 tors. eta vs tors. theta energy: -229.943 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: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -2658.723016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.723016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.723016 (E_RNA) where: Base-Base interactions energy: -1883.008 where: short stacking energy: -773.288 Base-Backbone interact. energy: -2.505 local terms energy: -773.209540 where: bonds (distance) C4'-P energy: -140.527 bonds (distance) P-C4' energy: -150.210 flat angles C4'-P-C4' energy: -202.558 flat angles P-C4'-P energy: -82.923 tors. eta vs tors. theta energy: -196.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -2415.955131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.955131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.955131 (E_RNA) where: Base-Base interactions energy: -1667.175 where: short stacking energy: -669.872 Base-Backbone interact. energy: -1.363 local terms energy: -747.416680 where: bonds (distance) C4'-P energy: -147.376 bonds (distance) P-C4' energy: -133.687 flat angles C4'-P-C4' energy: -175.331 flat angles P-C4'-P energy: -125.585 tors. eta vs tors. theta energy: -165.439 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: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -2030.592672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.592672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.592672 (E_RNA) where: Base-Base interactions energy: -1370.124 where: short stacking energy: -555.435 Base-Backbone interact. energy: -1.819 local terms energy: -658.649837 where: bonds (distance) C4'-P energy: -142.495 bonds (distance) P-C4' energy: -144.855 flat angles C4'-P-C4' energy: -169.497 flat angles P-C4'-P energy: -89.672 tors. eta vs tors. theta energy: -112.131 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: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3676.573512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.573512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.573512 (E_RNA) where: Base-Base interactions energy: -2621.046 where: short stacking energy: -1065.635 Base-Backbone interact. energy: -2.771 local terms energy: -1052.756656 where: bonds (distance) C4'-P energy: -188.184 bonds (distance) P-C4' energy: -187.758 flat angles C4'-P-C4' energy: -224.286 flat angles P-C4'-P energy: -150.324 tors. eta vs tors. theta energy: -302.204 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: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -3508.605536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3508.605536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3508.605536 (E_RNA) where: Base-Base interactions energy: -2515.116 where: short stacking energy: -1002.931 Base-Backbone interact. energy: -1.594 local terms energy: -991.896188 where: bonds (distance) C4'-P energy: -165.154 bonds (distance) P-C4' energy: -182.743 flat angles C4'-P-C4' energy: -223.855 flat angles P-C4'-P energy: -148.352 tors. eta vs tors. theta energy: -271.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -3364.424710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.424710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.424710 (E_RNA) where: Base-Base interactions energy: -2428.611 where: short stacking energy: -960.176 Base-Backbone interact. energy: -4.986 local terms energy: -930.827334 where: bonds (distance) C4'-P energy: -157.007 bonds (distance) P-C4' energy: -184.496 flat angles C4'-P-C4' energy: -186.692 flat angles P-C4'-P energy: -141.275 tors. eta vs tors. theta energy: -261.358 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: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -3270.301448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.301448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.301448 (E_RNA) where: Base-Base interactions energy: -2352.735 where: short stacking energy: -927.558 Base-Backbone interact. energy: -3.737 local terms energy: -913.828830 where: bonds (distance) C4'-P energy: -173.387 bonds (distance) P-C4' energy: -160.477 flat angles C4'-P-C4' energy: -193.807 flat angles P-C4'-P energy: -135.024 tors. eta vs tors. theta energy: -251.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -3140.267375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.267375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.267375 (E_RNA) where: Base-Base interactions energy: -2268.116 where: short stacking energy: -871.883 Base-Backbone interact. energy: -4.122 local terms energy: -868.029193 where: bonds (distance) C4'-P energy: -139.810 bonds (distance) P-C4' energy: -166.403 flat angles C4'-P-C4' energy: -199.848 flat angles P-C4'-P energy: -129.125 tors. eta vs tors. theta energy: -232.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2907.074783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.074783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.074783 (E_RNA) where: Base-Base interactions energy: -2043.343 where: short stacking energy: -838.150 Base-Backbone interact. energy: -0.993 local terms energy: -862.738865 where: bonds (distance) C4'-P energy: -155.495 bonds (distance) P-C4' energy: -170.755 flat angles C4'-P-C4' energy: -178.702 flat angles P-C4'-P energy: -125.069 tors. eta vs tors. theta energy: -232.718 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: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2933.404667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.404667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.404667 (E_RNA) where: Base-Base interactions energy: -2120.801 where: short stacking energy: -856.561 Base-Backbone interact. energy: -2.156 local terms energy: -810.447868 where: bonds (distance) C4'-P energy: -150.819 bonds (distance) P-C4' energy: -132.043 flat angles C4'-P-C4' energy: -189.365 flat angles P-C4'-P energy: -105.703 tors. eta vs tors. theta energy: -232.518 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: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -2704.391194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.391194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.391194 (E_RNA) where: Base-Base interactions energy: -1889.517 where: short stacking energy: -758.420 Base-Backbone interact. energy: -1.498 local terms energy: -813.376271 where: bonds (distance) C4'-P energy: -153.360 bonds (distance) P-C4' energy: -141.452 flat angles C4'-P-C4' energy: -190.180 flat angles P-C4'-P energy: -110.566 tors. eta vs tors. theta energy: -217.818 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: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -2382.064830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.064830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.064830 (E_RNA) where: Base-Base interactions energy: -1679.482 where: short stacking energy: -685.768 Base-Backbone interact. energy: 0.186 local terms energy: -702.769294 where: bonds (distance) C4'-P energy: -132.172 bonds (distance) P-C4' energy: -123.930 flat angles C4'-P-C4' energy: -167.824 flat angles P-C4'-P energy: -111.347 tors. eta vs tors. theta energy: -167.496 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: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -2048.846059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.846059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.846059 (E_RNA) where: Base-Base interactions energy: -1399.022 where: short stacking energy: -575.759 Base-Backbone interact. energy: 0.518 local terms energy: -650.342539 where: bonds (distance) C4'-P energy: -162.317 bonds (distance) P-C4' energy: -137.840 flat angles C4'-P-C4' energy: -140.383 flat angles P-C4'-P energy: -79.634 tors. eta vs tors. theta energy: -130.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -3662.409487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3662.409487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3662.409487 (E_RNA) where: Base-Base interactions energy: -2583.163 where: short stacking energy: -1058.247 Base-Backbone interact. energy: 0.996 local terms energy: -1080.243054 where: bonds (distance) C4'-P energy: -207.354 bonds (distance) P-C4' energy: -179.626 flat angles C4'-P-C4' energy: -221.453 flat angles P-C4'-P energy: -163.076 tors. eta vs tors. theta energy: -308.733 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: 96 Temperature: 0.950000 Total energy: -3555.502923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3555.502923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3555.502923 (E_RNA) where: Base-Base interactions energy: -2571.470 where: short stacking energy: -1016.886 Base-Backbone interact. energy: -0.939 local terms energy: -983.093957 where: bonds (distance) C4'-P energy: -173.133 bonds (distance) P-C4' energy: -171.909 flat angles C4'-P-C4' energy: -220.062 flat angles P-C4'-P energy: -136.354 tors. eta vs tors. theta energy: -281.635 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: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -3374.718516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3374.718516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3374.718516 (E_RNA) where: Base-Base interactions energy: -2415.743 where: short stacking energy: -967.721 Base-Backbone interact. energy: -1.975 local terms energy: -957.000085 where: bonds (distance) C4'-P energy: -175.579 bonds (distance) P-C4' energy: -171.702 flat angles C4'-P-C4' energy: -212.485 flat angles P-C4'-P energy: -144.174 tors. eta vs tors. theta energy: -253.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -3254.163742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.163742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.163742 (E_RNA) where: Base-Base interactions energy: -2336.212 where: short stacking energy: -883.590 Base-Backbone interact. energy: 2.378 local terms energy: -920.329577 where: bonds (distance) C4'-P energy: -161.288 bonds (distance) P-C4' energy: -194.911 flat angles C4'-P-C4' energy: -205.089 flat angles P-C4'-P energy: -125.761 tors. eta vs tors. theta energy: -233.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -3106.738756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.738756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.738756 (E_RNA) where: Base-Base interactions energy: -2239.033 where: short stacking energy: -855.398 Base-Backbone interact. energy: 4.029 local terms energy: -871.734328 where: bonds (distance) C4'-P energy: -153.139 bonds (distance) P-C4' energy: -160.710 flat angles C4'-P-C4' energy: -205.923 flat angles P-C4'-P energy: -125.856 tors. eta vs tors. theta energy: -226.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2970.930327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.930327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.930327 (E_RNA) where: Base-Base interactions energy: -2118.649 where: short stacking energy: -873.332 Base-Backbone interact. energy: -0.848 local terms energy: -851.433681 where: bonds (distance) C4'-P energy: -160.267 bonds (distance) P-C4' energy: -142.808 flat angles C4'-P-C4' energy: -189.151 flat angles P-C4'-P energy: -121.273 tors. eta vs tors. theta energy: -237.935 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: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -2939.272593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.272593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.272593 (E_RNA) where: Base-Base interactions energy: -2061.915 where: short stacking energy: -819.294 Base-Backbone interact. energy: -1.400 local terms energy: -875.958051 where: bonds (distance) C4'-P energy: -145.838 bonds (distance) P-C4' energy: -170.202 flat angles C4'-P-C4' energy: -205.538 flat angles P-C4'-P energy: -120.781 tors. eta vs tors. theta energy: -233.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -2741.341922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.341922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.341922 (E_RNA) where: Base-Base interactions energy: -1937.617 where: short stacking energy: -810.942 Base-Backbone interact. energy: 3.466 local terms energy: -807.190352 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -157.429 flat angles C4'-P-C4' energy: -184.030 flat angles P-C4'-P energy: -103.879 tors. eta vs tors. theta energy: -223.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -2466.909555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.909555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.909555 (E_RNA) where: Base-Base interactions energy: -1723.048 where: short stacking energy: -698.951 Base-Backbone interact. energy: 0.892 local terms energy: -744.753865 where: bonds (distance) C4'-P energy: -135.875 bonds (distance) P-C4' energy: -155.982 flat angles C4'-P-C4' energy: -162.662 flat angles P-C4'-P energy: -110.931 tors. eta vs tors. theta energy: -179.304 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: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1941.523995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.523995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.523995 (E_RNA) where: Base-Base interactions energy: -1289.301 where: short stacking energy: -538.056 Base-Backbone interact. energy: -1.706 local terms energy: -650.517017 where: bonds (distance) C4'-P energy: -148.857 bonds (distance) P-C4' energy: -129.501 flat angles C4'-P-C4' energy: -162.914 flat angles P-C4'-P energy: -92.792 tors. eta vs tors. theta energy: -116.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -3676.362844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.362844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.362844 (E_RNA) where: Base-Base interactions energy: -2601.861 where: short stacking energy: -1057.638 Base-Backbone interact. energy: -0.217 local terms energy: -1074.284176 where: bonds (distance) C4'-P energy: -197.189 bonds (distance) P-C4' energy: -193.368 flat angles C4'-P-C4' energy: -216.611 flat angles P-C4'-P energy: -151.676 tors. eta vs tors. theta energy: -315.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -3523.545914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3523.545914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3523.545914 (E_RNA) where: Base-Base interactions energy: -2550.370 where: short stacking energy: -1017.769 Base-Backbone interact. energy: 0.000 local terms energy: -973.175906 where: bonds (distance) C4'-P energy: -183.608 bonds (distance) P-C4' energy: -183.627 flat angles C4'-P-C4' energy: -199.737 flat angles P-C4'-P energy: -126.880 tors. eta vs tors. theta energy: -279.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -3317.938582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.938582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.938582 (E_RNA) where: Base-Base interactions energy: -2402.408 where: short stacking energy: -941.961 Base-Backbone interact. energy: -1.022 local terms energy: -914.507800 where: bonds (distance) C4'-P energy: -164.715 bonds (distance) P-C4' energy: -172.690 flat angles C4'-P-C4' energy: -186.884 flat angles P-C4'-P energy: -140.909 tors. eta vs tors. theta energy: -249.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -3265.771357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.771357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.771357 (E_RNA) where: Base-Base interactions energy: -2349.087 where: short stacking energy: -905.442 Base-Backbone interact. energy: -0.141 local terms energy: -916.543059 where: bonds (distance) C4'-P energy: -166.237 bonds (distance) P-C4' energy: -171.157 flat angles C4'-P-C4' energy: -200.566 flat angles P-C4'-P energy: -142.159 tors. eta vs tors. theta energy: -236.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -3070.375498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.375498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.375498 (E_RNA) where: Base-Base interactions energy: -2213.711 where: short stacking energy: -855.197 Base-Backbone interact. energy: -3.887 local terms energy: -852.778129 where: bonds (distance) C4'-P energy: -169.133 bonds (distance) P-C4' energy: -156.219 flat angles C4'-P-C4' energy: -188.608 flat angles P-C4'-P energy: -108.944 tors. eta vs tors. theta energy: -229.874 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: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2968.071748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.071748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.071748 (E_RNA) where: Base-Base interactions energy: -2105.194 where: short stacking energy: -852.257 Base-Backbone interact. energy: 2.150 local terms energy: -865.028272 where: bonds (distance) C4'-P energy: -162.375 bonds (distance) P-C4' energy: -148.499 flat angles C4'-P-C4' energy: -196.885 flat angles P-C4'-P energy: -126.020 tors. eta vs tors. theta energy: -231.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2897.985792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.985792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.985792 (E_RNA) where: Base-Base interactions energy: -2064.277 where: short stacking energy: -825.594 Base-Backbone interact. energy: 5.245 local terms energy: -838.953643 where: bonds (distance) C4'-P energy: -159.061 bonds (distance) P-C4' energy: -148.541 flat angles C4'-P-C4' energy: -192.718 flat angles P-C4'-P energy: -118.619 tors. eta vs tors. theta energy: -220.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -2763.856306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.856306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.856306 (E_RNA) where: Base-Base interactions energy: -1931.385 where: short stacking energy: -767.801 Base-Backbone interact. energy: 1.228 local terms energy: -833.699107 where: bonds (distance) C4'-P energy: -155.666 bonds (distance) P-C4' energy: -167.840 flat angles C4'-P-C4' energy: -170.637 flat angles P-C4'-P energy: -117.344 tors. eta vs tors. theta energy: -222.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -2431.287914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.287914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.287914 (E_RNA) where: Base-Base interactions energy: -1696.723 where: short stacking energy: -713.521 Base-Backbone interact. energy: -1.429 local terms energy: -733.136526 where: bonds (distance) C4'-P energy: -117.139 bonds (distance) P-C4' energy: -136.691 flat angles C4'-P-C4' energy: -178.322 flat angles P-C4'-P energy: -108.258 tors. eta vs tors. theta energy: -192.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1972.341026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.341026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.341026 (E_RNA) where: Base-Base interactions energy: -1346.106 where: short stacking energy: -536.414 Base-Backbone interact. energy: 3.266 local terms energy: -629.500366 where: bonds (distance) C4'-P energy: -145.482 bonds (distance) P-C4' energy: -138.257 flat angles C4'-P-C4' energy: -142.488 flat angles P-C4'-P energy: -88.887 tors. eta vs tors. theta energy: -114.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3700.480261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3700.480261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3700.480261 (E_RNA) where: Base-Base interactions energy: -2623.327 where: short stacking energy: -1066.076 Base-Backbone interact. energy: -1.975 local terms energy: -1075.178438 where: bonds (distance) C4'-P energy: -179.043 bonds (distance) P-C4' energy: -182.325 flat angles C4'-P-C4' energy: -229.643 flat angles P-C4'-P energy: -173.262 tors. eta vs tors. theta energy: -310.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -3565.893543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3565.893543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3565.893543 (E_RNA) where: Base-Base interactions energy: -2553.544 where: short stacking energy: -1001.224 Base-Backbone interact. energy: -2.751 local terms energy: -1009.598714 where: bonds (distance) C4'-P energy: -172.390 bonds (distance) P-C4' energy: -187.840 flat angles C4'-P-C4' energy: -222.807 flat angles P-C4'-P energy: -145.950 tors. eta vs tors. theta energy: -280.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -3369.570173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.570173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.570173 (E_RNA) where: Base-Base interactions energy: -2409.186 where: short stacking energy: -960.969 Base-Backbone interact. energy: -0.933 local terms energy: -959.451448 where: bonds (distance) C4'-P energy: -182.610 bonds (distance) P-C4' energy: -193.728 flat angles C4'-P-C4' energy: -195.079 flat angles P-C4'-P energy: -125.565 tors. eta vs tors. theta energy: -262.470 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: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -3250.444727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.444727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.444727 (E_RNA) where: Base-Base interactions energy: -2362.532 where: short stacking energy: -892.371 Base-Backbone interact. energy: -1.530 local terms energy: -886.382856 where: bonds (distance) C4'-P energy: -163.728 bonds (distance) P-C4' energy: -166.044 flat angles C4'-P-C4' energy: -183.880 flat angles P-C4'-P energy: -121.729 tors. eta vs tors. theta energy: -251.003 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: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -3075.689920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.689920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.689920 (E_RNA) where: Base-Base interactions energy: -2221.355 where: short stacking energy: -868.169 Base-Backbone interact. energy: 1.723 local terms energy: -856.058608 where: bonds (distance) C4'-P energy: -150.003 bonds (distance) P-C4' energy: -170.830 flat angles C4'-P-C4' energy: -187.167 flat angles P-C4'-P energy: -113.946 tors. eta vs tors. theta energy: -234.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2991.584963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.584963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.584963 (E_RNA) where: Base-Base interactions energy: -2164.020 where: short stacking energy: -894.129 Base-Backbone interact. energy: 1.776 local terms energy: -829.340560 where: bonds (distance) C4'-P energy: -156.202 bonds (distance) P-C4' energy: -140.073 flat angles C4'-P-C4' energy: -185.503 flat angles P-C4'-P energy: -112.062 tors. eta vs tors. theta energy: -235.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -2851.447080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.447080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.447080 (E_RNA) where: Base-Base interactions energy: -2033.432 where: short stacking energy: -821.080 Base-Backbone interact. energy: -2.956 local terms energy: -815.059040 where: bonds (distance) C4'-P energy: -151.506 bonds (distance) P-C4' energy: -142.853 flat angles C4'-P-C4' energy: -185.255 flat angles P-C4'-P energy: -117.954 tors. eta vs tors. theta energy: -217.491 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: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -2738.982492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.982492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.982492 (E_RNA) where: Base-Base interactions energy: -1927.442 where: short stacking energy: -798.895 Base-Backbone interact. energy: 4.078 local terms energy: -815.617968 where: bonds (distance) C4'-P energy: -168.750 bonds (distance) P-C4' energy: -137.232 flat angles C4'-P-C4' energy: -172.299 flat angles P-C4'-P energy: -130.539 tors. eta vs tors. theta energy: -206.797 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: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -2483.819652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.819652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.819652 (E_RNA) where: Base-Base interactions energy: -1734.840 where: short stacking energy: -715.771 Base-Backbone interact. energy: 1.023 local terms energy: -750.002177 where: bonds (distance) C4'-P energy: -152.143 bonds (distance) P-C4' energy: -147.213 flat angles C4'-P-C4' energy: -168.734 flat angles P-C4'-P energy: -98.907 tors. eta vs tors. theta energy: -183.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1982.642381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.642381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.642381 (E_RNA) where: Base-Base interactions energy: -1318.097 where: short stacking energy: -574.648 Base-Backbone interact. energy: 3.489 local terms energy: -668.034252 where: bonds (distance) C4'-P energy: -133.730 bonds (distance) P-C4' energy: -170.050 flat angles C4'-P-C4' energy: -158.753 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -119.769 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: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -3678.193838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3678.193838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3678.193838 (E_RNA) where: Base-Base interactions energy: -2637.811 where: short stacking energy: -1055.862 Base-Backbone interact. energy: -1.525 local terms energy: -1038.858249 where: bonds (distance) C4'-P energy: -188.909 bonds (distance) P-C4' energy: -187.289 flat angles C4'-P-C4' energy: -221.283 flat angles P-C4'-P energy: -130.340 tors. eta vs tors. theta energy: -311.037 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: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -3583.006692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3583.006692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3583.006692 (E_RNA) where: Base-Base interactions energy: -2580.254 where: short stacking energy: -1011.657 Base-Backbone interact. energy: 1.251 local terms energy: -1004.004007 where: bonds (distance) C4'-P energy: -170.646 bonds (distance) P-C4' energy: -204.662 flat angles C4'-P-C4' energy: -220.694 flat angles P-C4'-P energy: -118.117 tors. eta vs tors. theta energy: -289.885 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: 99 Temperature: 1.000000 Total energy: -3345.877128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.877128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.877128 (E_RNA) where: Base-Base interactions energy: -2405.036 where: short stacking energy: -953.064 Base-Backbone interact. energy: 1.095 local terms energy: -941.936516 where: bonds (distance) C4'-P energy: -168.840 bonds (distance) P-C4' energy: -171.149 flat angles C4'-P-C4' energy: -197.091 flat angles P-C4'-P energy: -144.659 tors. eta vs tors. theta energy: -260.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -3325.847874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3325.847874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3325.847874 (E_RNA) where: Base-Base interactions energy: -2369.057 where: short stacking energy: -933.646 Base-Backbone interact. energy: 2.285 local terms energy: -959.075894 where: bonds (distance) C4'-P energy: -179.750 bonds (distance) P-C4' energy: -182.275 flat angles C4'-P-C4' energy: -189.539 flat angles P-C4'-P energy: -135.268 tors. eta vs tors. theta energy: -272.243 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: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -3092.044091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.044091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.044091 (E_RNA) where: Base-Base interactions energy: -2235.230 where: short stacking energy: -864.458 Base-Backbone interact. energy: -1.575 local terms energy: -855.238546 where: bonds (distance) C4'-P energy: -151.343 bonds (distance) P-C4' energy: -177.330 flat angles C4'-P-C4' energy: -184.573 flat angles P-C4'-P energy: -112.056 tors. eta vs tors. theta energy: -229.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -3053.805884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.805884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.805884 (E_RNA) where: Base-Base interactions energy: -2201.021 where: short stacking energy: -873.794 Base-Backbone interact. energy: -0.660 local terms energy: -852.125071 where: bonds (distance) C4'-P energy: -176.656 bonds (distance) P-C4' energy: -136.781 flat angles C4'-P-C4' energy: -187.077 flat angles P-C4'-P energy: -112.388 tors. eta vs tors. theta energy: -239.223 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: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -2871.606197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.606197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.606197 (E_RNA) where: Base-Base interactions energy: -2040.365 where: short stacking energy: -832.551 Base-Backbone interact. energy: 1.214 local terms energy: -832.455327 where: bonds (distance) C4'-P energy: -147.446 bonds (distance) P-C4' energy: -160.079 flat angles C4'-P-C4' energy: -171.475 flat angles P-C4'-P energy: -110.772 tors. eta vs tors. theta energy: -242.682 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: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -2745.306352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.306352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.306352 (E_RNA) where: Base-Base interactions energy: -1953.622 where: short stacking energy: -797.485 Base-Backbone interact. energy: -0.809 local terms energy: -790.875886 where: bonds (distance) C4'-P energy: -134.758 bonds (distance) P-C4' energy: -147.710 flat angles C4'-P-C4' energy: -177.215 flat angles P-C4'-P energy: -116.804 tors. eta vs tors. theta energy: -214.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -2473.117604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.117604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.117604 (E_RNA) where: Base-Base interactions energy: -1762.511 where: short stacking energy: -710.671 Base-Backbone interact. energy: 2.201 local terms energy: -712.807487 where: bonds (distance) C4'-P energy: -135.101 bonds (distance) P-C4' energy: -148.098 flat angles C4'-P-C4' energy: -149.330 flat angles P-C4'-P energy: -102.442 tors. eta vs tors. theta energy: -177.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -2011.841824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.841824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.841824 (E_RNA) where: Base-Base interactions energy: -1373.863 where: short stacking energy: -581.065 Base-Backbone interact. energy: -2.176 local terms energy: -635.803030 where: bonds (distance) C4'-P energy: -142.303 bonds (distance) P-C4' energy: -143.092 flat angles C4'-P-C4' energy: -131.101 flat angles P-C4'-P energy: -82.442 tors. eta vs tors. theta energy: -136.864 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: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -3703.624271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3703.624271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3703.624271 (E_RNA) where: Base-Base interactions energy: -2641.882 where: short stacking energy: -1077.556 Base-Backbone interact. energy: -1.023 local terms energy: -1060.718968 where: bonds (distance) C4'-P energy: -189.874 bonds (distance) P-C4' energy: -192.083 flat angles C4'-P-C4' energy: -223.457 flat angles P-C4'-P energy: -144.786 tors. eta vs tors. theta energy: -310.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -3588.140749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3588.140749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3588.140749 (E_RNA) where: Base-Base interactions energy: -2587.657 where: short stacking energy: -1026.035 Base-Backbone interact. energy: -0.304 local terms energy: -1000.179333 where: bonds (distance) C4'-P energy: -166.425 bonds (distance) P-C4' energy: -172.411 flat angles C4'-P-C4' energy: -223.361 flat angles P-C4'-P energy: -141.424 tors. eta vs tors. theta energy: -296.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -3369.518542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.518542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.518542 (E_RNA) where: Base-Base interactions energy: -2428.974 where: short stacking energy: -946.023 Base-Backbone interact. energy: -1.841 local terms energy: -938.702975 where: bonds (distance) C4'-P energy: -161.253 bonds (distance) P-C4' energy: -168.290 flat angles C4'-P-C4' energy: -201.219 flat angles P-C4'-P energy: -143.414 tors. eta vs tors. theta energy: -264.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -3288.334722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.334722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.334722 (E_RNA) where: Base-Base interactions energy: -2368.184 where: short stacking energy: -931.371 Base-Backbone interact. energy: 0.006 local terms energy: -920.156456 where: bonds (distance) C4'-P energy: -144.846 bonds (distance) P-C4' energy: -178.954 flat angles C4'-P-C4' energy: -200.868 flat angles P-C4'-P energy: -132.948 tors. eta vs tors. theta energy: -262.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -3081.662601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.662601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.662601 (E_RNA) where: Base-Base interactions energy: -2208.587 where: short stacking energy: -843.222 Base-Backbone interact. energy: -2.229 local terms energy: -870.846449 where: bonds (distance) C4'-P energy: -151.230 bonds (distance) P-C4' energy: -170.405 flat angles C4'-P-C4' energy: -192.581 flat angles P-C4'-P energy: -126.393 tors. eta vs tors. theta energy: -230.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -3025.545439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.545439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.545439 (E_RNA) where: Base-Base interactions energy: -2165.149 where: short stacking energy: -849.908 Base-Backbone interact. energy: 5.094 local terms energy: -865.489757 where: bonds (distance) C4'-P energy: -159.149 bonds (distance) P-C4' energy: -176.665 flat angles C4'-P-C4' energy: -182.814 flat angles P-C4'-P energy: -124.585 tors. eta vs tors. theta energy: -222.278 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: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2884.586718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.586718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.586718 (E_RNA) where: Base-Base interactions energy: -2052.333 where: short stacking energy: -847.424 Base-Backbone interact. energy: 4.354 local terms energy: -836.608006 where: bonds (distance) C4'-P energy: -157.952 bonds (distance) P-C4' energy: -144.944 flat angles C4'-P-C4' energy: -184.521 flat angles P-C4'-P energy: -116.358 tors. eta vs tors. theta energy: -232.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -2719.596500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.596500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.596500 (E_RNA) where: Base-Base interactions energy: -1934.793 where: short stacking energy: -799.132 Base-Backbone interact. energy: 0.216 local terms energy: -785.019699 where: bonds (distance) C4'-P energy: -129.995 bonds (distance) P-C4' energy: -150.647 flat angles C4'-P-C4' energy: -189.525 flat angles P-C4'-P energy: -102.096 tors. eta vs tors. theta energy: -212.756 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: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -2459.316148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.316148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.316148 (E_RNA) where: Base-Base interactions energy: -1729.398 where: short stacking energy: -705.424 Base-Backbone interact. energy: -4.801 local terms energy: -725.117285 where: bonds (distance) C4'-P energy: -147.462 bonds (distance) P-C4' energy: -156.700 flat angles C4'-P-C4' energy: -133.081 flat angles P-C4'-P energy: -104.203 tors. eta vs tors. theta energy: -183.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -2032.078970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.078970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.078970 (E_RNA) where: Base-Base interactions energy: -1363.606 where: short stacking energy: -587.620 Base-Backbone interact. energy: 1.039 local terms energy: -669.512374 where: bonds (distance) C4'-P energy: -119.046 bonds (distance) P-C4' energy: -141.564 flat angles C4'-P-C4' energy: -158.728 flat angles P-C4'-P energy: -111.913 tors. eta vs tors. theta energy: -138.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -3709.617586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3709.617586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3709.617586 (E_RNA) where: Base-Base interactions energy: -2629.677 where: short stacking energy: -1041.897 Base-Backbone interact. energy: -0.875 local terms energy: -1079.065833 where: bonds (distance) C4'-P energy: -196.811 bonds (distance) P-C4' energy: -193.740 flat angles C4'-P-C4' energy: -216.637 flat angles P-C4'-P energy: -155.404 tors. eta vs tors. theta energy: -316.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -3527.241759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3527.241759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3527.241759 (E_RNA) where: Base-Base interactions energy: -2519.339 where: short stacking energy: -991.633 Base-Backbone interact. energy: -0.393 local terms energy: -1007.509780 where: bonds (distance) C4'-P energy: -169.203 bonds (distance) P-C4' energy: -180.708 flat angles C4'-P-C4' energy: -218.884 flat angles P-C4'-P energy: -152.224 tors. eta vs tors. theta energy: -286.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -3359.499516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3359.499516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3359.499516 (E_RNA) where: Base-Base interactions energy: -2422.913 where: short stacking energy: -951.618 Base-Backbone interact. energy: 2.045 local terms energy: -938.630746 where: bonds (distance) C4'-P energy: -182.420 bonds (distance) P-C4' energy: -173.255 flat angles C4'-P-C4' energy: -189.226 flat angles P-C4'-P energy: -125.221 tors. eta vs tors. theta energy: -268.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -3256.549194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.549194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.549194 (E_RNA) where: Base-Base interactions energy: -2378.943 where: short stacking energy: -920.150 Base-Backbone interact. energy: 1.836 local terms energy: -879.442083 where: bonds (distance) C4'-P energy: -173.751 bonds (distance) P-C4' energy: -159.296 flat angles C4'-P-C4' energy: -182.480 flat angles P-C4'-P energy: -121.951 tors. eta vs tors. theta energy: -241.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -3086.567152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.567152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.567152 (E_RNA) where: Base-Base interactions energy: -2235.005 where: short stacking energy: -872.988 Base-Backbone interact. energy: -0.693 local terms energy: -850.869628 where: bonds (distance) C4'-P energy: -157.680 bonds (distance) P-C4' energy: -160.149 flat angles C4'-P-C4' energy: -188.456 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -233.731 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: 6, replica: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2996.949295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.949295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.949295 (E_RNA) where: Base-Base interactions energy: -2138.429 where: short stacking energy: -858.408 Base-Backbone interact. energy: -1.383 local terms energy: -857.137656 where: bonds (distance) C4'-P energy: -136.325 bonds (distance) P-C4' energy: -162.286 flat angles C4'-P-C4' energy: -193.113 flat angles P-C4'-P energy: -132.752 tors. eta vs tors. theta energy: -232.662 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: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2866.550540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.550540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.550540 (E_RNA) where: Base-Base interactions energy: -2067.637 where: short stacking energy: -833.393 Base-Backbone interact. energy: -0.325 local terms energy: -798.588522 where: bonds (distance) C4'-P energy: -121.392 bonds (distance) P-C4' energy: -148.634 flat angles C4'-P-C4' energy: -182.342 flat angles P-C4'-P energy: -112.103 tors. eta vs tors. theta energy: -234.118 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -2739.865719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.865719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.865719 (E_RNA) where: Base-Base interactions energy: -1920.527 where: short stacking energy: -786.940 Base-Backbone interact. energy: -1.261 local terms energy: -818.077548 where: bonds (distance) C4'-P energy: -131.234 bonds (distance) P-C4' energy: -152.157 flat angles C4'-P-C4' energy: -196.689 flat angles P-C4'-P energy: -128.596 tors. eta vs tors. theta energy: -209.402 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: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -2450.855016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.855016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.855016 (E_RNA) where: Base-Base interactions energy: -1721.018 where: short stacking energy: -687.771 Base-Backbone interact. energy: 1.893 local terms energy: -731.729474 where: bonds (distance) C4'-P energy: -149.128 bonds (distance) P-C4' energy: -146.543 flat angles C4'-P-C4' energy: -156.415 flat angles P-C4'-P energy: -96.889 tors. eta vs tors. theta energy: -182.755 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: 4 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -2054.122030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.122030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.122030 (E_RNA) where: Base-Base interactions energy: -1369.503 where: short stacking energy: -579.930 Base-Backbone interact. energy: -1.969 local terms energy: -682.650028 where: bonds (distance) C4'-P energy: -137.279 bonds (distance) P-C4' energy: -164.394 flat angles C4'-P-C4' energy: -156.618 flat angles P-C4'-P energy: -102.800 tors. eta vs tors. theta energy: -121.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -3734.054160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.054160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.054160 (E_RNA) where: Base-Base interactions energy: -2680.551 where: short stacking energy: -1078.184 Base-Backbone interact. energy: -2.051 local terms energy: -1051.452742 where: bonds (distance) C4'-P energy: -192.816 bonds (distance) P-C4' energy: -192.447 flat angles C4'-P-C4' energy: -223.649 flat angles P-C4'-P energy: -128.610 tors. eta vs tors. theta energy: -313.930 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: 102 Temperature: 0.950000 Total energy: -3548.095099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3548.095099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3548.095099 (E_RNA) where: Base-Base interactions energy: -2538.289 where: short stacking energy: -1001.826 Base-Backbone interact. energy: -3.268 local terms energy: -1006.537747 where: bonds (distance) C4'-P energy: -175.925 bonds (distance) P-C4' energy: -183.347 flat angles C4'-P-C4' energy: -218.236 flat angles P-C4'-P energy: -146.601 tors. eta vs tors. theta energy: -282.428 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: 10 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -3369.521115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.521115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.521115 (E_RNA) where: Base-Base interactions energy: -2437.254 where: short stacking energy: -926.818 Base-Backbone interact. energy: -3.726 local terms energy: -928.541566 where: bonds (distance) C4'-P energy: -169.288 bonds (distance) P-C4' energy: -180.093 flat angles C4'-P-C4' energy: -190.422 flat angles P-C4'-P energy: -115.374 tors. eta vs tors. theta energy: -273.364 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: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -3267.292824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.292824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.292824 (E_RNA) where: Base-Base interactions energy: -2370.490 where: short stacking energy: -903.603 Base-Backbone interact. energy: 2.828 local terms energy: -899.629880 where: bonds (distance) C4'-P energy: -158.076 bonds (distance) P-C4' energy: -161.621 flat angles C4'-P-C4' energy: -189.588 flat angles P-C4'-P energy: -149.900 tors. eta vs tors. theta energy: -240.445 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: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -3066.440714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.440714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.440714 (E_RNA) where: Base-Base interactions energy: -2223.659 where: short stacking energy: -864.717 Base-Backbone interact. energy: 1.369 local terms energy: -844.150925 where: bonds (distance) C4'-P energy: -155.650 bonds (distance) P-C4' energy: -173.932 flat angles C4'-P-C4' energy: -179.762 flat angles P-C4'-P energy: -111.430 tors. eta vs tors. theta energy: -223.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -3058.895739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.895739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.895739 (E_RNA) where: Base-Base interactions energy: -2194.432 where: short stacking energy: -873.615 Base-Backbone interact. energy: 1.870 local terms energy: -866.333420 where: bonds (distance) C4'-P energy: -158.561 bonds (distance) P-C4' energy: -145.252 flat angles C4'-P-C4' energy: -186.818 flat angles P-C4'-P energy: -132.386 tors. eta vs tors. theta energy: -243.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2868.293025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.293025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.293025 (E_RNA) where: Base-Base interactions energy: -2031.824 where: short stacking energy: -827.978 Base-Backbone interact. energy: 2.898 local terms energy: -839.367880 where: bonds (distance) C4'-P energy: -157.620 bonds (distance) P-C4' energy: -152.110 flat angles C4'-P-C4' energy: -188.670 flat angles P-C4'-P energy: -119.507 tors. eta vs tors. theta energy: -221.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -2700.765954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.765954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.765954 (E_RNA) where: Base-Base interactions energy: -1922.271 where: short stacking energy: -771.932 Base-Backbone interact. energy: 1.528 local terms energy: -780.023372 where: bonds (distance) C4'-P energy: -135.779 bonds (distance) P-C4' energy: -156.390 flat angles C4'-P-C4' energy: -162.860 flat angles P-C4'-P energy: -125.879 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: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -2502.618111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.618111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.618111 (E_RNA) where: Base-Base interactions energy: -1774.769 where: short stacking energy: -694.511 Base-Backbone interact. energy: -3.602 local terms energy: -724.247393 where: bonds (distance) C4'-P energy: -149.985 bonds (distance) P-C4' energy: -129.811 flat angles C4'-P-C4' energy: -158.702 flat angles P-C4'-P energy: -120.339 tors. eta vs tors. theta energy: -165.410 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: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -2040.213849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.213849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.213849 (E_RNA) where: Base-Base interactions energy: -1368.103 where: short stacking energy: -597.454 Base-Backbone interact. energy: -0.609 local terms energy: -671.502382 where: bonds (distance) C4'-P energy: -150.614 bonds (distance) P-C4' energy: -158.823 flat angles C4'-P-C4' energy: -152.263 flat angles P-C4'-P energy: -78.220 tors. eta vs tors. theta energy: -131.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -3719.428787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3719.428787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3719.428787 (E_RNA) where: Base-Base interactions energy: -2672.634 where: short stacking energy: -1061.280 Base-Backbone interact. energy: 1.682 local terms energy: -1048.477553 where: bonds (distance) C4'-P energy: -171.346 bonds (distance) P-C4' energy: -191.594 flat angles C4'-P-C4' energy: -223.709 flat angles P-C4'-P energy: -147.823 tors. eta vs tors. theta energy: -314.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -3590.339894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3590.339894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3590.339894 (E_RNA) where: Base-Base interactions energy: -2629.830 where: short stacking energy: -1018.718 Base-Backbone interact. energy: -1.526 local terms energy: -958.984067 where: bonds (distance) C4'-P energy: -189.927 bonds (distance) P-C4' energy: -165.365 flat angles C4'-P-C4' energy: -192.480 flat angles P-C4'-P energy: -137.300 tors. eta vs tors. theta energy: -273.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -3346.742779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3346.742779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3346.742779 (E_RNA) where: Base-Base interactions energy: -2419.422 where: short stacking energy: -949.217 Base-Backbone interact. energy: -1.019 local terms energy: -926.301263 where: bonds (distance) C4'-P energy: -170.125 bonds (distance) P-C4' energy: -169.255 flat angles C4'-P-C4' energy: -211.868 flat angles P-C4'-P energy: -127.560 tors. eta vs tors. theta energy: -247.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -3321.394291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.394291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.394291 (E_RNA) where: Base-Base interactions energy: -2412.792 where: short stacking energy: -936.959 Base-Backbone interact. energy: -1.547 local terms energy: -907.055381 where: bonds (distance) C4'-P energy: -164.616 bonds (distance) P-C4' energy: -161.887 flat angles C4'-P-C4' energy: -202.623 flat angles P-C4'-P energy: -130.789 tors. eta vs tors. theta energy: -247.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -3051.861651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.861651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.861651 (E_RNA) where: Base-Base interactions energy: -2190.311 where: short stacking energy: -843.823 Base-Backbone interact. energy: 0.802 local terms energy: -862.352449 where: bonds (distance) C4'-P energy: -175.132 bonds (distance) P-C4' energy: -197.784 flat angles C4'-P-C4' energy: -166.666 flat angles P-C4'-P energy: -100.226 tors. eta vs tors. theta energy: -222.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -3136.730606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.730606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.730606 (E_RNA) where: Base-Base interactions energy: -2248.686 where: short stacking energy: -890.765 Base-Backbone interact. energy: -0.240 local terms energy: -887.804858 where: bonds (distance) C4'-P energy: -144.343 bonds (distance) P-C4' energy: -173.729 flat angles C4'-P-C4' energy: -194.477 flat angles P-C4'-P energy: -124.771 tors. eta vs tors. theta energy: -250.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -2840.008714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.008714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.008714 (E_RNA) where: Base-Base interactions energy: -1998.044 where: short stacking energy: -787.040 Base-Backbone interact. energy: -0.345 local terms energy: -841.620518 where: bonds (distance) C4'-P energy: -157.933 bonds (distance) P-C4' energy: -161.137 flat angles C4'-P-C4' energy: -187.784 flat angles P-C4'-P energy: -127.068 tors. eta vs tors. theta energy: -207.698 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -2772.015635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.015635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.015635 (E_RNA) where: Base-Base interactions energy: -1914.107 where: short stacking energy: -789.130 Base-Backbone interact. energy: 1.588 local terms energy: -859.497188 where: bonds (distance) C4'-P energy: -161.410 bonds (distance) P-C4' energy: -169.610 flat angles C4'-P-C4' energy: -186.473 flat angles P-C4'-P energy: -119.538 tors. eta vs tors. theta energy: -222.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -2568.839303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.839303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.839303 (E_RNA) where: Base-Base interactions energy: -1808.336 where: short stacking energy: -728.838 Base-Backbone interact. energy: -0.148 local terms energy: -760.354541 where: bonds (distance) C4'-P energy: -152.788 bonds (distance) P-C4' energy: -157.309 flat angles C4'-P-C4' energy: -162.961 flat angles P-C4'-P energy: -103.674 tors. eta vs tors. theta energy: -183.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -2023.676278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.676278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.676278 (E_RNA) where: Base-Base interactions energy: -1373.298 where: short stacking energy: -567.213 Base-Backbone interact. energy: -2.562 local terms energy: -647.816304 where: bonds (distance) C4'-P energy: -128.775 bonds (distance) P-C4' energy: -150.518 flat angles C4'-P-C4' energy: -153.278 flat angles P-C4'-P energy: -104.391 tors. eta vs tors. theta energy: -110.854 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: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -3716.123765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3716.123765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3716.123765 (E_RNA) where: Base-Base interactions energy: -2648.020 where: short stacking energy: -1070.937 Base-Backbone interact. energy: -1.075 local terms energy: -1067.029326 where: bonds (distance) C4'-P energy: -182.250 bonds (distance) P-C4' energy: -181.587 flat angles C4'-P-C4' energy: -221.149 flat angles P-C4'-P energy: -164.797 tors. eta vs tors. theta energy: -317.247 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: 104 Temperature: 0.950000 Total energy: -3580.827809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3580.827809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3580.827809 (E_RNA) where: Base-Base interactions energy: -2590.460 where: short stacking energy: -1011.357 Base-Backbone interact. energy: -1.990 local terms energy: -988.377695 where: bonds (distance) C4'-P energy: -168.297 bonds (distance) P-C4' energy: -184.154 flat angles C4'-P-C4' energy: -217.849 flat angles P-C4'-P energy: -137.299 tors. eta vs tors. theta energy: -280.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -3337.664688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.664688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.664688 (E_RNA) where: Base-Base interactions energy: -2409.962 where: short stacking energy: -923.269 Base-Backbone interact. energy: -3.283 local terms energy: -924.419279 where: bonds (distance) C4'-P energy: -165.549 bonds (distance) P-C4' energy: -163.971 flat angles C4'-P-C4' energy: -203.127 flat angles P-C4'-P energy: -131.114 tors. eta vs tors. theta energy: -260.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -3273.916107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.916107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.916107 (E_RNA) where: Base-Base interactions energy: -2379.172 where: short stacking energy: -915.061 Base-Backbone interact. energy: 0.454 local terms energy: -895.197696 where: bonds (distance) C4'-P energy: -156.954 bonds (distance) P-C4' energy: -172.800 flat angles C4'-P-C4' energy: -197.302 flat angles P-C4'-P energy: -119.745 tors. eta vs tors. theta energy: -248.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -3223.040084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.040084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.040084 (E_RNA) where: Base-Base interactions energy: -2307.646 where: short stacking energy: -891.388 Base-Backbone interact. energy: 1.445 local terms energy: -916.839848 where: bonds (distance) C4'-P energy: -172.190 bonds (distance) P-C4' energy: -159.269 flat angles C4'-P-C4' energy: -200.453 flat angles P-C4'-P energy: -131.862 tors. eta vs tors. theta energy: -253.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2925.813858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.813858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.813858 (E_RNA) where: Base-Base interactions energy: -2119.174 where: short stacking energy: -850.514 Base-Backbone interact. energy: 2.135 local terms energy: -808.775353 where: bonds (distance) C4'-P energy: -125.771 bonds (distance) P-C4' energy: -176.455 flat angles C4'-P-C4' energy: -181.006 flat angles P-C4'-P energy: -107.563 tors. eta vs tors. theta energy: -217.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -2823.101674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.101674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.101674 (E_RNA) where: Base-Base interactions energy: -1981.298 where: short stacking energy: -817.446 Base-Backbone interact. energy: -3.233 local terms energy: -838.570362 where: bonds (distance) C4'-P energy: -154.340 bonds (distance) P-C4' energy: -165.488 flat angles C4'-P-C4' energy: -169.572 flat angles P-C4'-P energy: -115.227 tors. eta vs tors. theta energy: -233.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -2783.188679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.188679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.188679 (E_RNA) where: Base-Base interactions energy: -1941.330 where: short stacking energy: -764.758 Base-Backbone interact. energy: -0.067 local terms energy: -841.791398 where: bonds (distance) C4'-P energy: -163.600 bonds (distance) P-C4' energy: -184.719 flat angles C4'-P-C4' energy: -179.235 flat angles P-C4'-P energy: -108.873 tors. eta vs tors. theta energy: -205.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -2575.628136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.628136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.628136 (E_RNA) where: Base-Base interactions energy: -1845.955 where: short stacking energy: -732.188 Base-Backbone interact. energy: 10.098 local terms energy: -739.770733 where: bonds (distance) C4'-P energy: -137.880 bonds (distance) P-C4' energy: -137.855 flat angles C4'-P-C4' energy: -175.421 flat angles P-C4'-P energy: -97.643 tors. eta vs tors. theta energy: -190.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -2023.204207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.204207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.204207 (E_RNA) where: Base-Base interactions energy: -1362.006 where: short stacking energy: -567.782 Base-Backbone interact. energy: -1.467 local terms energy: -659.731703 where: bonds (distance) C4'-P energy: -137.272 bonds (distance) P-C4' energy: -141.147 flat angles C4'-P-C4' energy: -162.856 flat angles P-C4'-P energy: -97.130 tors. eta vs tors. theta energy: -121.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3702.456614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3702.456614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3702.456614 (E_RNA) where: Base-Base interactions energy: -2637.651 where: short stacking energy: -1063.605 Base-Backbone interact. energy: -1.197 local terms energy: -1063.608502 where: bonds (distance) C4'-P energy: -166.432 bonds (distance) P-C4' energy: -187.187 flat angles C4'-P-C4' energy: -235.627 flat angles P-C4'-P energy: -159.450 tors. eta vs tors. theta energy: -314.913 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: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -3558.183060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.183060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.183060 (E_RNA) where: Base-Base interactions energy: -2537.652 where: short stacking energy: -993.029 Base-Backbone interact. energy: 0.768 local terms energy: -1021.298851 where: bonds (distance) C4'-P energy: -187.064 bonds (distance) P-C4' energy: -170.405 flat angles C4'-P-C4' energy: -223.551 flat angles P-C4'-P energy: -146.031 tors. eta vs tors. theta energy: -294.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -3355.801358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3355.801358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3355.801358 (E_RNA) where: Base-Base interactions energy: -2421.801 where: short stacking energy: -917.686 Base-Backbone interact. energy: 0.512 local terms energy: -934.512865 where: bonds (distance) C4'-P energy: -173.620 bonds (distance) P-C4' energy: -178.559 flat angles C4'-P-C4' energy: -208.070 flat angles P-C4'-P energy: -121.338 tors. eta vs tors. theta energy: -252.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -3270.187527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.187527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.187527 (E_RNA) where: Base-Base interactions energy: -2393.774 where: short stacking energy: -926.965 Base-Backbone interact. energy: -2.022 local terms energy: -874.391191 where: bonds (distance) C4'-P energy: -155.710 bonds (distance) P-C4' energy: -147.495 flat angles C4'-P-C4' energy: -193.035 flat angles P-C4'-P energy: -126.414 tors. eta vs tors. theta energy: -251.737 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: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -3193.046063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.046063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.046063 (E_RNA) where: Base-Base interactions energy: -2262.752 where: short stacking energy: -917.840 Base-Backbone interact. energy: -1.579 local terms energy: -928.715608 where: bonds (distance) C4'-P energy: -181.345 bonds (distance) P-C4' energy: -161.764 flat angles C4'-P-C4' energy: -201.605 flat angles P-C4'-P energy: -128.007 tors. eta vs tors. theta energy: -255.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2936.112291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.112291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.112291 (E_RNA) where: Base-Base interactions energy: -2032.573 where: short stacking energy: -838.428 Base-Backbone interact. energy: -0.226 local terms energy: -903.313295 where: bonds (distance) C4'-P energy: -180.604 bonds (distance) P-C4' energy: -168.522 flat angles C4'-P-C4' energy: -185.496 flat angles P-C4'-P energy: -133.418 tors. eta vs tors. theta energy: -235.273 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: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2853.380868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.380868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.380868 (E_RNA) where: Base-Base interactions energy: -2079.731 where: short stacking energy: -801.299 Base-Backbone interact. energy: -0.163 local terms energy: -773.485927 where: bonds (distance) C4'-P energy: -147.932 bonds (distance) P-C4' energy: -147.977 flat angles C4'-P-C4' energy: -168.087 flat angles P-C4'-P energy: -102.236 tors. eta vs tors. theta energy: -207.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -2790.549037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.549037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.549037 (E_RNA) where: Base-Base interactions energy: -1965.309 where: short stacking energy: -807.464 Base-Backbone interact. energy: -2.229 local terms energy: -823.011751 where: bonds (distance) C4'-P energy: -156.801 bonds (distance) P-C4' energy: -159.661 flat angles C4'-P-C4' energy: -184.409 flat angles P-C4'-P energy: -103.069 tors. eta vs tors. theta energy: -219.072 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: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -2572.542945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.542945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.542945 (E_RNA) where: Base-Base interactions energy: -1837.014 where: short stacking energy: -712.840 Base-Backbone interact. energy: 1.286 local terms energy: -736.815200 where: bonds (distance) C4'-P energy: -144.775 bonds (distance) P-C4' energy: -137.258 flat angles C4'-P-C4' energy: -156.550 flat angles P-C4'-P energy: -122.082 tors. eta vs tors. theta energy: -176.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -2109.609368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.609368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.609368 (E_RNA) where: Base-Base interactions energy: -1425.781 where: short stacking energy: -595.327 Base-Backbone interact. energy: 0.575 local terms energy: -684.403364 where: bonds (distance) C4'-P energy: -156.312 bonds (distance) P-C4' energy: -136.877 flat angles C4'-P-C4' energy: -158.379 flat angles P-C4'-P energy: -89.241 tors. eta vs tors. theta energy: -143.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3712.728800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3712.728800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3712.728800 (E_RNA) where: Base-Base interactions energy: -2658.553 where: short stacking energy: -1062.255 Base-Backbone interact. energy: -2.054 local terms energy: -1052.121842 where: bonds (distance) C4'-P energy: -190.392 bonds (distance) P-C4' energy: -170.618 flat angles C4'-P-C4' energy: -231.410 flat angles P-C4'-P energy: -147.709 tors. eta vs tors. theta energy: -311.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -3526.989769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3526.989769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3526.989769 (E_RNA) where: Base-Base interactions energy: -2551.427 where: short stacking energy: -1009.532 Base-Backbone interact. energy: 2.172 local terms energy: -977.735046 where: bonds (distance) C4'-P energy: -174.160 bonds (distance) P-C4' energy: -176.741 flat angles C4'-P-C4' energy: -208.079 flat angles P-C4'-P energy: -137.409 tors. eta vs tors. theta energy: -281.346 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: 106 Temperature: 1.000000 Total energy: -3395.599912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3395.599912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3395.599912 (E_RNA) where: Base-Base interactions energy: -2435.257 where: short stacking energy: -951.700 Base-Backbone interact. energy: -2.578 local terms energy: -957.765117 where: bonds (distance) C4'-P energy: -153.892 bonds (distance) P-C4' energy: -178.462 flat angles C4'-P-C4' energy: -222.941 flat angles P-C4'-P energy: -146.879 tors. eta vs tors. theta energy: -255.590 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: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -3266.590816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.590816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.590816 (E_RNA) where: Base-Base interactions energy: -2362.393 where: short stacking energy: -915.995 Base-Backbone interact. energy: -0.165 local terms energy: -904.032372 where: bonds (distance) C4'-P energy: -161.861 bonds (distance) P-C4' energy: -175.834 flat angles C4'-P-C4' energy: -193.718 flat angles P-C4'-P energy: -126.631 tors. eta vs tors. theta energy: -245.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -3150.816002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.816002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.816002 (E_RNA) where: Base-Base interactions energy: -2259.854 where: short stacking energy: -922.448 Base-Backbone interact. energy: -1.035 local terms energy: -889.927265 where: bonds (distance) C4'-P energy: -150.332 bonds (distance) P-C4' energy: -158.170 flat angles C4'-P-C4' energy: -196.227 flat angles P-C4'-P energy: -121.249 tors. eta vs tors. theta energy: -263.949 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: 9 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2960.771010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.771010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.771010 (E_RNA) where: Base-Base interactions energy: -2088.675 where: short stacking energy: -844.435 Base-Backbone interact. energy: -0.048 local terms energy: -872.048429 where: bonds (distance) C4'-P energy: -157.823 bonds (distance) P-C4' energy: -158.033 flat angles C4'-P-C4' energy: -189.139 flat angles P-C4'-P energy: -120.031 tors. eta vs tors. theta energy: -247.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -2838.082614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.082614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.082614 (E_RNA) where: Base-Base interactions energy: -2000.843 where: short stacking energy: -807.141 Base-Backbone interact. energy: 0.085 local terms energy: -837.324629 where: bonds (distance) C4'-P energy: -163.865 bonds (distance) P-C4' energy: -155.582 flat angles C4'-P-C4' energy: -175.789 flat angles P-C4'-P energy: -137.037 tors. eta vs tors. theta energy: -205.051 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: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -2744.746253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.746253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.746253 (E_RNA) where: Base-Base interactions energy: -1940.297 where: short stacking energy: -775.887 Base-Backbone interact. energy: 0.271 local terms energy: -804.720108 where: bonds (distance) C4'-P energy: -125.858 bonds (distance) P-C4' energy: -168.748 flat angles C4'-P-C4' energy: -186.270 flat angles P-C4'-P energy: -113.701 tors. eta vs tors. theta energy: -210.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -2651.776641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.776641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.776641 (E_RNA) where: Base-Base interactions energy: -1905.431 where: short stacking energy: -757.049 Base-Backbone interact. energy: 0.874 local terms energy: -747.219382 where: bonds (distance) C4'-P energy: -120.166 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -165.454 flat angles P-C4'-P energy: -122.364 tors. eta vs tors. theta energy: -202.462 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: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -2132.256407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.256407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.256407 (E_RNA) where: Base-Base interactions energy: -1407.547 where: short stacking energy: -570.871 Base-Backbone interact. energy: -0.059 local terms energy: -724.651249 where: bonds (distance) C4'-P energy: -138.080 bonds (distance) P-C4' energy: -158.790 flat angles C4'-P-C4' energy: -171.575 flat angles P-C4'-P energy: -114.274 tors. eta vs tors. theta energy: -141.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3706.367805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3706.367805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3706.367805 (E_RNA) where: Base-Base interactions energy: -2661.171 where: short stacking energy: -1050.910 Base-Backbone interact. energy: 0.212 local terms energy: -1045.408315 where: bonds (distance) C4'-P energy: -179.098 bonds (distance) P-C4' energy: -182.675 flat angles C4'-P-C4' energy: -227.418 flat angles P-C4'-P energy: -147.788 tors. eta vs tors. theta energy: -308.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -3563.348587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3563.348587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3563.348587 (E_RNA) where: Base-Base interactions energy: -2538.734 where: short stacking energy: -1008.134 Base-Backbone interact. energy: -3.603 local terms energy: -1021.011769 where: bonds (distance) C4'-P energy: -175.124 bonds (distance) P-C4' energy: -191.601 flat angles C4'-P-C4' energy: -219.659 flat angles P-C4'-P energy: -140.644 tors. eta vs tors. theta energy: -293.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -3363.720368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3363.720368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3363.720368 (E_RNA) where: Base-Base interactions energy: -2408.939 where: short stacking energy: -920.771 Base-Backbone interact. energy: -1.539 local terms energy: -953.242125 where: bonds (distance) C4'-P energy: -187.104 bonds (distance) P-C4' energy: -180.843 flat angles C4'-P-C4' energy: -200.349 flat angles P-C4'-P energy: -135.675 tors. eta vs tors. theta energy: -249.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -3276.118357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.118357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.118357 (E_RNA) where: Base-Base interactions energy: -2369.346 where: short stacking energy: -920.393 Base-Backbone interact. energy: -2.744 local terms energy: -904.028533 where: bonds (distance) C4'-P energy: -159.501 bonds (distance) P-C4' energy: -171.115 flat angles C4'-P-C4' energy: -199.781 flat angles P-C4'-P energy: -113.498 tors. eta vs tors. theta energy: -260.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -3137.181854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.181854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.181854 (E_RNA) where: Base-Base interactions energy: -2221.920 where: short stacking energy: -896.586 Base-Backbone interact. energy: 3.008 local terms energy: -918.269926 where: bonds (distance) C4'-P energy: -154.486 bonds (distance) P-C4' energy: -172.186 flat angles C4'-P-C4' energy: -193.917 flat angles P-C4'-P energy: -141.732 tors. eta vs tors. theta energy: -255.949 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: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2955.580625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.580625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.580625 (E_RNA) where: Base-Base interactions energy: -2097.813 where: short stacking energy: -863.644 Base-Backbone interact. energy: -1.886 local terms energy: -855.881591 where: bonds (distance) C4'-P energy: -142.997 bonds (distance) P-C4' energy: -164.433 flat angles C4'-P-C4' energy: -184.575 flat angles P-C4'-P energy: -121.896 tors. eta vs tors. theta energy: -241.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2853.181587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.181587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.181587 (E_RNA) where: Base-Base interactions energy: -2039.742 where: short stacking energy: -798.690 Base-Backbone interact. energy: 0.201 local terms energy: -813.640646 where: bonds (distance) C4'-P energy: -140.930 bonds (distance) P-C4' energy: -180.303 flat angles C4'-P-C4' energy: -170.689 flat angles P-C4'-P energy: -110.614 tors. eta vs tors. theta energy: -211.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -2808.935740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.935740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.935740 (E_RNA) where: Base-Base interactions energy: -2001.070 where: short stacking energy: -789.791 Base-Backbone interact. energy: -0.201 local terms energy: -807.665025 where: bonds (distance) C4'-P energy: -136.086 bonds (distance) P-C4' energy: -151.011 flat angles C4'-P-C4' energy: -195.149 flat angles P-C4'-P energy: -110.359 tors. eta vs tors. theta energy: -215.060 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: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -2607.798720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.798720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.798720 (E_RNA) where: Base-Base interactions energy: -1871.160 where: short stacking energy: -757.338 Base-Backbone interact. energy: -1.213 local terms energy: -735.426212 where: bonds (distance) C4'-P energy: -117.544 bonds (distance) P-C4' energy: -149.688 flat angles C4'-P-C4' energy: -162.583 flat angles P-C4'-P energy: -99.726 tors. eta vs tors. theta energy: -205.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -2158.663702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.663702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.663702 (E_RNA) where: Base-Base interactions energy: -1476.071 where: short stacking energy: -571.159 Base-Backbone interact. energy: 4.062 local terms energy: -686.654223 where: bonds (distance) C4'-P energy: -151.476 bonds (distance) P-C4' energy: -144.726 flat angles C4'-P-C4' energy: -146.081 flat angles P-C4'-P energy: -107.382 tors. eta vs tors. theta energy: -136.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -3698.535514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3698.535514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3698.535514 (E_RNA) where: Base-Base interactions energy: -2636.130 where: short stacking energy: -1057.610 Base-Backbone interact. energy: -0.550 local terms energy: -1061.854954 where: bonds (distance) C4'-P energy: -188.441 bonds (distance) P-C4' energy: -194.357 flat angles C4'-P-C4' energy: -218.467 flat angles P-C4'-P energy: -158.062 tors. eta vs tors. theta energy: -302.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -3531.583308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3531.583308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3531.583308 (E_RNA) where: Base-Base interactions energy: -2528.686 where: short stacking energy: -982.131 Base-Backbone interact. energy: -1.942 local terms energy: -1000.955509 where: bonds (distance) C4'-P energy: -177.378 bonds (distance) P-C4' energy: -180.431 flat angles C4'-P-C4' energy: -212.347 flat angles P-C4'-P energy: -148.269 tors. eta vs tors. theta energy: -282.531 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: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -3347.438330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.438330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.438330 (E_RNA) where: Base-Base interactions energy: -2385.955 where: short stacking energy: -944.612 Base-Backbone interact. energy: -1.815 local terms energy: -959.668131 where: bonds (distance) C4'-P energy: -178.135 bonds (distance) P-C4' energy: -176.283 flat angles C4'-P-C4' energy: -203.488 flat angles P-C4'-P energy: -141.152 tors. eta vs tors. theta energy: -260.610 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: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -3337.330252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.330252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.330252 (E_RNA) where: Base-Base interactions energy: -2442.783 where: short stacking energy: -960.018 Base-Backbone interact. energy: 1.801 local terms energy: -896.347877 where: bonds (distance) C4'-P energy: -159.995 bonds (distance) P-C4' energy: -153.562 flat angles C4'-P-C4' energy: -198.518 flat angles P-C4'-P energy: -120.797 tors. eta vs tors. theta energy: -263.476 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: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -3177.127512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.127512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.127512 (E_RNA) where: Base-Base interactions energy: -2293.169 where: short stacking energy: -919.735 Base-Backbone interact. energy: -2.627 local terms energy: -881.331905 where: bonds (distance) C4'-P energy: -162.340 bonds (distance) P-C4' energy: -158.511 flat angles C4'-P-C4' energy: -196.817 flat angles P-C4'-P energy: -117.647 tors. eta vs tors. theta energy: -246.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2982.944718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.944718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.944718 (E_RNA) where: Base-Base interactions energy: -2107.300 where: short stacking energy: -866.824 Base-Backbone interact. energy: 0.936 local terms energy: -876.580619 where: bonds (distance) C4'-P energy: -158.179 bonds (distance) P-C4' energy: -164.169 flat angles C4'-P-C4' energy: -200.173 flat angles P-C4'-P energy: -119.548 tors. eta vs tors. theta energy: -234.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2944.862954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.862954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.862954 (E_RNA) where: Base-Base interactions energy: -2095.240 where: short stacking energy: -838.374 Base-Backbone interact. energy: -1.035 local terms energy: -848.588401 where: bonds (distance) C4'-P energy: -157.307 bonds (distance) P-C4' energy: -143.928 flat angles C4'-P-C4' energy: -187.630 flat angles P-C4'-P energy: -118.119 tors. eta vs tors. theta energy: -241.604 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: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -2763.817768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.817768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.817768 (E_RNA) where: Base-Base interactions energy: -1992.932 where: short stacking energy: -768.447 Base-Backbone interact. energy: 8.095 local terms energy: -778.981395 where: bonds (distance) C4'-P energy: -142.492 bonds (distance) P-C4' energy: -145.530 flat angles C4'-P-C4' energy: -177.539 flat angles P-C4'-P energy: -103.376 tors. eta vs tors. theta energy: -210.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -2708.100052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.100052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.100052 (E_RNA) where: Base-Base interactions energy: -1956.736 where: short stacking energy: -778.727 Base-Backbone interact. energy: -2.346 local terms energy: -749.018867 where: bonds (distance) C4'-P energy: -128.634 bonds (distance) P-C4' energy: -158.620 flat angles C4'-P-C4' energy: -158.704 flat angles P-C4'-P energy: -99.392 tors. eta vs tors. theta energy: -203.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -2158.881265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.881265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.881265 (E_RNA) where: Base-Base interactions energy: -1454.685 where: short stacking energy: -582.646 Base-Backbone interact. energy: 5.683 local terms energy: -709.879114 where: bonds (distance) C4'-P energy: -154.065 bonds (distance) P-C4' energy: -149.355 flat angles C4'-P-C4' energy: -162.979 flat angles P-C4'-P energy: -85.911 tors. eta vs tors. theta energy: -157.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3694.243415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3694.243415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3694.243415 (E_RNA) where: Base-Base interactions energy: -2630.213 where: short stacking energy: -1076.424 Base-Backbone interact. energy: -0.218 local terms energy: -1063.812543 where: bonds (distance) C4'-P energy: -186.511 bonds (distance) P-C4' energy: -188.607 flat angles C4'-P-C4' energy: -223.731 flat angles P-C4'-P energy: -160.811 tors. eta vs tors. theta energy: -304.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -3578.709890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3578.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3578.709890 (E_RNA) where: Base-Base interactions energy: -2590.935 where: short stacking energy: -999.552 Base-Backbone interact. energy: -0.972 local terms energy: -986.803472 where: bonds (distance) C4'-P energy: -180.158 bonds (distance) P-C4' energy: -184.514 flat angles C4'-P-C4' energy: -209.339 flat angles P-C4'-P energy: -141.679 tors. eta vs tors. theta energy: -271.113 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: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -3318.225596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.225596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.225596 (E_RNA) where: Base-Base interactions energy: -2355.973 where: short stacking energy: -932.528 Base-Backbone interact. energy: -1.691 local terms energy: -960.561448 where: bonds (distance) C4'-P energy: -172.174 bonds (distance) P-C4' energy: -172.491 flat angles C4'-P-C4' energy: -206.092 flat angles P-C4'-P energy: -143.056 tors. eta vs tors. theta energy: -266.749 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: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -3295.831261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3295.831261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3295.831261 (E_RNA) where: Base-Base interactions energy: -2377.561 where: short stacking energy: -903.195 Base-Backbone interact. energy: -3.273 local terms energy: -914.997900 where: bonds (distance) C4'-P energy: -158.649 bonds (distance) P-C4' energy: -181.108 flat angles C4'-P-C4' energy: -188.592 flat angles P-C4'-P energy: -135.344 tors. eta vs tors. theta energy: -251.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -3214.343713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.343713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.343713 (E_RNA) where: Base-Base interactions energy: -2319.935 where: short stacking energy: -928.896 Base-Backbone interact. energy: 2.154 local terms energy: -896.563320 where: bonds (distance) C4'-P energy: -153.186 bonds (distance) P-C4' energy: -154.052 flat angles C4'-P-C4' energy: -191.833 flat angles P-C4'-P energy: -142.797 tors. eta vs tors. theta energy: -254.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -3098.433842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.433842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.433842 (E_RNA) where: Base-Base interactions energy: -2198.663 where: short stacking energy: -856.536 Base-Backbone interact. energy: -1.251 local terms energy: -898.519448 where: bonds (distance) C4'-P energy: -148.006 bonds (distance) P-C4' energy: -172.662 flat angles C4'-P-C4' energy: -205.580 flat angles P-C4'-P energy: -116.257 tors. eta vs tors. theta energy: -256.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -2958.395830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.395830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.395830 (E_RNA) where: Base-Base interactions energy: -2137.599 where: short stacking energy: -830.580 Base-Backbone interact. energy: 2.059 local terms energy: -822.856316 where: bonds (distance) C4'-P energy: -137.525 bonds (distance) P-C4' energy: -161.811 flat angles C4'-P-C4' energy: -177.883 flat angles P-C4'-P energy: -107.772 tors. eta vs tors. theta energy: -237.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -2755.995943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.995943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.995943 (E_RNA) where: Base-Base interactions energy: -1939.585 where: short stacking energy: -775.290 Base-Backbone interact. energy: -1.614 local terms energy: -814.796429 where: bonds (distance) C4'-P energy: -139.244 bonds (distance) P-C4' energy: -156.843 flat angles C4'-P-C4' energy: -193.889 flat angles P-C4'-P energy: -114.067 tors. eta vs tors. theta energy: -210.753 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: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -2621.714502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.714502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.714502 (E_RNA) where: Base-Base interactions energy: -1844.840 where: short stacking energy: -723.167 Base-Backbone interact. energy: 2.501 local terms energy: -779.375185 where: bonds (distance) C4'-P energy: -143.055 bonds (distance) P-C4' energy: -153.895 flat angles C4'-P-C4' energy: -179.316 flat angles P-C4'-P energy: -114.340 tors. eta vs tors. theta energy: -188.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -2235.571796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.571796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.571796 (E_RNA) where: Base-Base interactions energy: -1522.002 where: short stacking energy: -632.019 Base-Backbone interact. energy: -2.951 local terms energy: -710.618922 where: bonds (distance) C4'-P energy: -138.797 bonds (distance) P-C4' energy: -148.663 flat angles C4'-P-C4' energy: -154.271 flat angles P-C4'-P energy: -111.225 tors. eta vs tors. theta energy: -157.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -3695.866865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3695.866865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3695.866865 (E_RNA) where: Base-Base interactions energy: -2653.630 where: short stacking energy: -1049.781 Base-Backbone interact. energy: 3.830 local terms energy: -1046.066292 where: bonds (distance) C4'-P energy: -189.481 bonds (distance) P-C4' energy: -175.890 flat angles C4'-P-C4' energy: -219.290 flat angles P-C4'-P energy: -152.963 tors. eta vs tors. theta energy: -308.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -3574.901504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3574.901504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3574.901504 (E_RNA) where: Base-Base interactions energy: -2583.908 where: short stacking energy: -997.654 Base-Backbone interact. energy: -1.289 local terms energy: -989.704784 where: bonds (distance) C4'-P energy: -160.306 bonds (distance) P-C4' energy: -185.390 flat angles C4'-P-C4' energy: -215.524 flat angles P-C4'-P energy: -148.496 tors. eta vs tors. theta energy: -279.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -3388.436423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3388.436423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3388.436423 (E_RNA) where: Base-Base interactions energy: -2482.110 where: short stacking energy: -952.891 Base-Backbone interact. energy: -3.406 local terms energy: -902.919849 where: bonds (distance) C4'-P energy: -157.632 bonds (distance) P-C4' energy: -164.460 flat angles C4'-P-C4' energy: -206.923 flat angles P-C4'-P energy: -123.123 tors. eta vs tors. theta energy: -250.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -3285.834478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.834478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.834478 (E_RNA) where: Base-Base interactions energy: -2377.439 where: short stacking energy: -930.647 Base-Backbone interact. energy: 2.690 local terms energy: -911.085365 where: bonds (distance) C4'-P energy: -164.792 bonds (distance) P-C4' energy: -186.435 flat angles C4'-P-C4' energy: -200.975 flat angles P-C4'-P energy: -122.144 tors. eta vs tors. theta energy: -236.740 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: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -3236.837650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.837650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.837650 (E_RNA) where: Base-Base interactions energy: -2339.022 where: short stacking energy: -919.400 Base-Backbone interact. energy: -1.300 local terms energy: -896.515402 where: bonds (distance) C4'-P energy: -161.407 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -194.556 flat angles P-C4'-P energy: -126.240 tors. eta vs tors. theta energy: -254.550 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: 110 Temperature: 1.150000 Total energy: -3166.326875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.326875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.326875 (E_RNA) where: Base-Base interactions energy: -2254.459 where: short stacking energy: -863.687 Base-Backbone interact. energy: 0.848 local terms energy: -912.715162 where: bonds (distance) C4'-P energy: -168.545 bonds (distance) P-C4' energy: -160.532 flat angles C4'-P-C4' energy: -210.267 flat angles P-C4'-P energy: -123.494 tors. eta vs tors. theta energy: -249.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -2961.987794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.987794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.987794 (E_RNA) where: Base-Base interactions energy: -2111.713 where: short stacking energy: -826.063 Base-Backbone interact. energy: 2.521 local terms energy: -852.795440 where: bonds (distance) C4'-P energy: -158.062 bonds (distance) P-C4' energy: -172.597 flat angles C4'-P-C4' energy: -172.219 flat angles P-C4'-P energy: -120.655 tors. eta vs tors. theta energy: -229.263 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: 110 Temperature: 1.250000 Total energy: -2728.704921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.704921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.704921 (E_RNA) where: Base-Base interactions energy: -1969.798 where: short stacking energy: -763.255 Base-Backbone interact. energy: -1.174 local terms energy: -757.733249 where: bonds (distance) C4'-P energy: -114.417 bonds (distance) P-C4' energy: -157.291 flat angles C4'-P-C4' energy: -181.606 flat angles P-C4'-P energy: -89.253 tors. eta vs tors. theta energy: -215.166 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: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -2738.718500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.718500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.718500 (E_RNA) where: Base-Base interactions energy: -1935.444 where: short stacking energy: -784.627 Base-Backbone interact. energy: 3.334 local terms energy: -806.608271 where: bonds (distance) C4'-P energy: -151.075 bonds (distance) P-C4' energy: -139.693 flat angles C4'-P-C4' energy: -183.117 flat angles P-C4'-P energy: -116.622 tors. eta vs tors. theta energy: -216.101 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: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -2206.076842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.076842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.076842 (E_RNA) where: Base-Base interactions energy: -1539.544 where: short stacking energy: -622.434 Base-Backbone interact. energy: 4.345 local terms energy: -670.877609 where: bonds (distance) C4'-P energy: -135.451 bonds (distance) P-C4' energy: -136.187 flat angles C4'-P-C4' energy: -153.680 flat angles P-C4'-P energy: -97.770 tors. eta vs tors. theta energy: -147.790 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: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -3687.291030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3687.291030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3687.291030 (E_RNA) where: Base-Base interactions energy: -2639.882 where: short stacking energy: -1047.602 Base-Backbone interact. energy: 1.705 local terms energy: -1049.114165 where: bonds (distance) C4'-P energy: -179.470 bonds (distance) P-C4' energy: -186.336 flat angles C4'-P-C4' energy: -222.642 flat angles P-C4'-P energy: -158.228 tors. eta vs tors. theta energy: -302.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -3619.753322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3619.753322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3619.753322 (E_RNA) where: Base-Base interactions energy: -2607.564 where: short stacking energy: -1012.863 Base-Backbone interact. energy: 1.342 local terms energy: -1013.530976 where: bonds (distance) C4'-P energy: -190.277 bonds (distance) P-C4' energy: -187.127 flat angles C4'-P-C4' energy: -207.244 flat angles P-C4'-P energy: -146.287 tors. eta vs tors. theta energy: -282.596 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: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -3365.512063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3365.512063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3365.512063 (E_RNA) where: Base-Base interactions energy: -2430.717 where: short stacking energy: -936.241 Base-Backbone interact. energy: -2.626 local terms energy: -932.169363 where: bonds (distance) C4'-P energy: -180.023 bonds (distance) P-C4' energy: -166.818 flat angles C4'-P-C4' energy: -199.408 flat angles P-C4'-P energy: -132.279 tors. eta vs tors. theta energy: -253.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -3269.096973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.096973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.096973 (E_RNA) where: Base-Base interactions energy: -2394.811 where: short stacking energy: -943.247 Base-Backbone interact. energy: -3.771 local terms energy: -870.515570 where: bonds (distance) C4'-P energy: -141.541 bonds (distance) P-C4' energy: -159.281 flat angles C4'-P-C4' energy: -198.194 flat angles P-C4'-P energy: -120.497 tors. eta vs tors. theta energy: -251.003 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: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -3210.680940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.680940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.680940 (E_RNA) where: Base-Base interactions energy: -2278.666 where: short stacking energy: -898.198 Base-Backbone interact. energy: 0.517 local terms energy: -932.531920 where: bonds (distance) C4'-P energy: -167.796 bonds (distance) P-C4' energy: -186.598 flat angles C4'-P-C4' energy: -186.601 flat angles P-C4'-P energy: -126.171 tors. eta vs tors. theta energy: -265.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -3140.373500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.373500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.373500 (E_RNA) where: Base-Base interactions energy: -2275.261 where: short stacking energy: -902.149 Base-Backbone interact. energy: 4.028 local terms energy: -869.140535 where: bonds (distance) C4'-P energy: -152.133 bonds (distance) P-C4' energy: -154.254 flat angles C4'-P-C4' energy: -185.431 flat angles P-C4'-P energy: -121.748 tors. eta vs tors. theta energy: -255.575 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: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2938.594187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.594187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.594187 (E_RNA) where: Base-Base interactions energy: -2089.807 where: short stacking energy: -838.177 Base-Backbone interact. energy: -0.756 local terms energy: -848.031285 where: bonds (distance) C4'-P energy: -153.883 bonds (distance) P-C4' energy: -154.351 flat angles C4'-P-C4' energy: -193.940 flat angles P-C4'-P energy: -112.090 tors. eta vs tors. theta energy: -233.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -2761.294709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.294709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.294709 (E_RNA) where: Base-Base interactions energy: -1962.692 where: short stacking energy: -767.982 Base-Backbone interact. energy: -2.629 local terms energy: -795.973140 where: bonds (distance) C4'-P energy: -144.965 bonds (distance) P-C4' energy: -153.371 flat angles C4'-P-C4' energy: -195.398 flat angles P-C4'-P energy: -103.061 tors. eta vs tors. theta energy: -199.179 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: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -2675.309151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.309151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.309151 (E_RNA) where: Base-Base interactions energy: -1878.043 where: short stacking energy: -740.419 Base-Backbone interact. energy: 0.890 local terms energy: -798.156522 where: bonds (distance) C4'-P energy: -141.326 bonds (distance) P-C4' energy: -172.511 flat angles C4'-P-C4' energy: -153.466 flat angles P-C4'-P energy: -126.048 tors. eta vs tors. theta energy: -204.805 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: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -2167.906763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.906763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.906763 (E_RNA) where: Base-Base interactions energy: -1498.392 where: short stacking energy: -623.576 Base-Backbone interact. energy: -2.545 local terms energy: -666.969740 where: bonds (distance) C4'-P energy: -140.973 bonds (distance) P-C4' energy: -132.163 flat angles C4'-P-C4' energy: -155.943 flat angles P-C4'-P energy: -90.533 tors. eta vs tors. theta energy: -147.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3703.741359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3703.741359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3703.741359 (E_RNA) where: Base-Base interactions energy: -2664.197 where: short stacking energy: -1084.132 Base-Backbone interact. energy: -1.471 local terms energy: -1038.073673 where: bonds (distance) C4'-P energy: -166.068 bonds (distance) P-C4' energy: -188.996 flat angles C4'-P-C4' energy: -213.297 flat angles P-C4'-P energy: -151.845 tors. eta vs tors. theta energy: -317.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -3614.436266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.436266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.436266 (E_RNA) where: Base-Base interactions energy: -2623.928 where: short stacking energy: -1017.340 Base-Backbone interact. energy: -1.966 local terms energy: -988.542714 where: bonds (distance) C4'-P energy: -177.326 bonds (distance) P-C4' energy: -181.571 flat angles C4'-P-C4' energy: -213.740 flat angles P-C4'-P energy: -145.300 tors. eta vs tors. theta energy: -270.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -3370.860351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3370.860351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3370.860351 (E_RNA) where: Base-Base interactions energy: -2407.736 where: short stacking energy: -924.723 Base-Backbone interact. energy: -1.841 local terms energy: -961.282557 where: bonds (distance) C4'-P energy: -181.859 bonds (distance) P-C4' energy: -189.772 flat angles C4'-P-C4' energy: -213.614 flat angles P-C4'-P energy: -120.470 tors. eta vs tors. theta energy: -255.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -3279.829830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.829830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.829830 (E_RNA) where: Base-Base interactions energy: -2376.807 where: short stacking energy: -937.062 Base-Backbone interact. energy: 0.157 local terms energy: -903.180436 where: bonds (distance) C4'-P energy: -165.387 bonds (distance) P-C4' energy: -164.727 flat angles C4'-P-C4' energy: -196.320 flat angles P-C4'-P energy: -124.509 tors. eta vs tors. theta energy: -252.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -3267.316106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.316106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.316106 (E_RNA) where: Base-Base interactions energy: -2348.386 where: short stacking energy: -919.729 Base-Backbone interact. energy: -0.343 local terms energy: -918.587055 where: bonds (distance) C4'-P energy: -162.175 bonds (distance) P-C4' energy: -170.791 flat angles C4'-P-C4' energy: -198.176 flat angles P-C4'-P energy: -125.688 tors. eta vs tors. theta energy: -261.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -3105.325973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.325973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.325973 (E_RNA) where: Base-Base interactions energy: -2260.242 where: short stacking energy: -892.996 Base-Backbone interact. energy: 5.262 local terms energy: -850.346125 where: bonds (distance) C4'-P energy: -165.780 bonds (distance) P-C4' energy: -143.536 flat angles C4'-P-C4' energy: -164.313 flat angles P-C4'-P energy: -137.419 tors. eta vs tors. theta energy: -239.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2907.214720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.214720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.214720 (E_RNA) where: Base-Base interactions energy: -2076.889 where: short stacking energy: -820.225 Base-Backbone interact. energy: 1.653 local terms energy: -831.977778 where: bonds (distance) C4'-P energy: -140.174 bonds (distance) P-C4' energy: -161.904 flat angles C4'-P-C4' energy: -185.634 flat angles P-C4'-P energy: -124.740 tors. eta vs tors. theta energy: -219.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -2710.237537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.237537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.237537 (E_RNA) where: Base-Base interactions energy: -1962.323 where: short stacking energy: -791.251 Base-Backbone interact. energy: 6.286 local terms energy: -754.200971 where: bonds (distance) C4'-P energy: -126.791 bonds (distance) P-C4' energy: -149.047 flat angles C4'-P-C4' energy: -164.439 flat angles P-C4'-P energy: -118.496 tors. eta vs tors. theta energy: -195.428 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: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -2738.657108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.657108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.657108 (E_RNA) where: Base-Base interactions energy: -1968.392 where: short stacking energy: -764.669 Base-Backbone interact. energy: 3.212 local terms energy: -773.477228 where: bonds (distance) C4'-P energy: -95.113 bonds (distance) P-C4' energy: -156.816 flat angles C4'-P-C4' energy: -180.566 flat angles P-C4'-P energy: -115.553 tors. eta vs tors. theta energy: -225.429 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: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -2104.508675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.508675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.508675 (E_RNA) where: Base-Base interactions energy: -1485.644 where: short stacking energy: -602.498 Base-Backbone interact. energy: 9.032 local terms energy: -627.897388 where: bonds (distance) C4'-P energy: -137.190 bonds (distance) P-C4' energy: -116.351 flat angles C4'-P-C4' energy: -156.302 flat angles P-C4'-P energy: -94.332 tors. eta vs tors. theta energy: -123.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -3700.693390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3700.693390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3700.693390 (E_RNA) where: Base-Base interactions energy: -2645.749 where: short stacking energy: -1057.787 Base-Backbone interact. energy: -1.228 local terms energy: -1053.716350 where: bonds (distance) C4'-P energy: -178.285 bonds (distance) P-C4' energy: -182.366 flat angles C4'-P-C4' energy: -226.729 flat angles P-C4'-P energy: -168.963 tors. eta vs tors. theta energy: -297.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -3629.318768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3629.318768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3629.318768 (E_RNA) where: Base-Base interactions energy: -2623.540 where: short stacking energy: -1024.257 Base-Backbone interact. energy: -2.425 local terms energy: -1003.353859 where: bonds (distance) C4'-P energy: -170.528 bonds (distance) P-C4' energy: -187.942 flat angles C4'-P-C4' energy: -218.630 flat angles P-C4'-P energy: -138.148 tors. eta vs tors. theta energy: -288.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -3376.991735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3376.991735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3376.991735 (E_RNA) where: Base-Base interactions energy: -2447.737 where: short stacking energy: -933.857 Base-Backbone interact. energy: 1.305 local terms energy: -930.559362 where: bonds (distance) C4'-P energy: -172.322 bonds (distance) P-C4' energy: -172.156 flat angles C4'-P-C4' energy: -205.076 flat angles P-C4'-P energy: -143.648 tors. eta vs tors. theta energy: -237.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -3294.816580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.816580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.816580 (E_RNA) where: Base-Base interactions energy: -2360.694 where: short stacking energy: -926.984 Base-Backbone interact. energy: 3.780 local terms energy: -937.902667 where: bonds (distance) C4'-P energy: -175.623 bonds (distance) P-C4' energy: -168.894 flat angles C4'-P-C4' energy: -204.787 flat angles P-C4'-P energy: -123.198 tors. eta vs tors. theta energy: -265.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -3255.947293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.947293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.947293 (E_RNA) where: Base-Base interactions energy: -2380.630 where: short stacking energy: -930.265 Base-Backbone interact. energy: 2.418 local terms energy: -877.734730 where: bonds (distance) C4'-P energy: -138.790 bonds (distance) P-C4' energy: -158.159 flat angles C4'-P-C4' energy: -196.379 flat angles P-C4'-P energy: -116.126 tors. eta vs tors. theta energy: -268.280 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: 113 Temperature: 1.150000 Total energy: -3171.127072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.127072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.127072 (E_RNA) where: Base-Base interactions energy: -2270.654 where: short stacking energy: -918.778 Base-Backbone interact. energy: 0.745 local terms energy: -901.218040 where: bonds (distance) C4'-P energy: -172.385 bonds (distance) P-C4' energy: -149.958 flat angles C4'-P-C4' energy: -196.920 flat angles P-C4'-P energy: -129.202 tors. eta vs tors. theta energy: -252.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2970.257766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.257766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.257766 (E_RNA) where: Base-Base interactions energy: -2108.009 where: short stacking energy: -834.632 Base-Backbone interact. energy: 12.985 local terms energy: -875.233656 where: bonds (distance) C4'-P energy: -146.297 bonds (distance) P-C4' energy: -171.763 flat angles C4'-P-C4' energy: -175.569 flat angles P-C4'-P energy: -130.015 tors. eta vs tors. theta energy: -251.589 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: 113 Temperature: 1.250000 Total energy: -2817.374778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.374778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.374778 (E_RNA) where: Base-Base interactions energy: -2022.652 where: short stacking energy: -791.249 Base-Backbone interact. energy: -1.824 local terms energy: -792.898466 where: bonds (distance) C4'-P energy: -149.686 bonds (distance) P-C4' energy: -142.527 flat angles C4'-P-C4' energy: -179.505 flat angles P-C4'-P energy: -96.587 tors. eta vs tors. theta energy: -224.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -2724.189414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.189414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.189414 (E_RNA) where: Base-Base interactions energy: -1943.805 where: short stacking energy: -757.568 Base-Backbone interact. energy: 5.474 local terms energy: -785.859162 where: bonds (distance) C4'-P energy: -144.437 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -187.154 flat angles P-C4'-P energy: -121.466 tors. eta vs tors. theta energy: -186.620 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: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -2101.614118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.614118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.614118 (E_RNA) where: Base-Base interactions energy: -1428.717 where: short stacking energy: -587.479 Base-Backbone interact. energy: 0.511 local terms energy: -673.407519 where: bonds (distance) C4'-P energy: -140.477 bonds (distance) P-C4' energy: -135.820 flat angles C4'-P-C4' energy: -164.903 flat angles P-C4'-P energy: -92.365 tors. eta vs tors. theta energy: -139.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3692.607703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3692.607703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3692.607703 (E_RNA) where: Base-Base interactions energy: -2636.279 where: short stacking energy: -1062.668 Base-Backbone interact. energy: -3.622 local terms energy: -1052.707522 where: bonds (distance) C4'-P energy: -191.380 bonds (distance) P-C4' energy: -180.844 flat angles C4'-P-C4' energy: -218.483 flat angles P-C4'-P energy: -149.879 tors. eta vs tors. theta energy: -312.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -3622.311084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3622.311084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3622.311084 (E_RNA) where: Base-Base interactions energy: -2621.844 where: short stacking energy: -1020.457 Base-Backbone interact. energy: 0.485 local terms energy: -1000.952279 where: bonds (distance) C4'-P energy: -187.996 bonds (distance) P-C4' energy: -178.911 flat angles C4'-P-C4' energy: -214.491 flat angles P-C4'-P energy: -128.122 tors. eta vs tors. theta energy: -291.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -3362.224361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3362.224361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3362.224361 (E_RNA) where: Base-Base interactions energy: -2419.752 where: short stacking energy: -923.003 Base-Backbone interact. energy: -2.129 local terms energy: -940.342915 where: bonds (distance) C4'-P energy: -182.968 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -194.225 flat angles P-C4'-P energy: -145.868 tors. eta vs tors. theta energy: -254.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -3264.953139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.953139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.953139 (E_RNA) where: Base-Base interactions energy: -2333.602 where: short stacking energy: -903.098 Base-Backbone interact. energy: 0.837 local terms energy: -932.187646 where: bonds (distance) C4'-P energy: -167.671 bonds (distance) P-C4' energy: -169.628 flat angles C4'-P-C4' energy: -216.167 flat angles P-C4'-P energy: -140.420 tors. eta vs tors. theta energy: -238.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -3256.313463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.313463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.313463 (E_RNA) where: Base-Base interactions energy: -2327.610 where: short stacking energy: -904.795 Base-Backbone interact. energy: 1.800 local terms energy: -930.504037 where: bonds (distance) C4'-P energy: -159.468 bonds (distance) P-C4' energy: -178.563 flat angles C4'-P-C4' energy: -192.252 flat angles P-C4'-P energy: -133.607 tors. eta vs tors. theta energy: -266.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -3167.815387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.815387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.815387 (E_RNA) where: Base-Base interactions energy: -2291.649 where: short stacking energy: -892.340 Base-Backbone interact. energy: 3.189 local terms energy: -879.355628 where: bonds (distance) C4'-P energy: -146.476 bonds (distance) P-C4' energy: -161.166 flat angles C4'-P-C4' energy: -182.265 flat angles P-C4'-P energy: -135.350 tors. eta vs tors. theta energy: -254.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2971.872633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.872633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.872633 (E_RNA) where: Base-Base interactions energy: -2102.577 where: short stacking energy: -819.862 Base-Backbone interact. energy: -0.407 local terms energy: -868.888660 where: bonds (distance) C4'-P energy: -150.208 bonds (distance) P-C4' energy: -174.593 flat angles C4'-P-C4' energy: -186.586 flat angles P-C4'-P energy: -125.745 tors. eta vs tors. theta energy: -231.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -2854.110390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.110390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.110390 (E_RNA) where: Base-Base interactions energy: -2001.916 where: short stacking energy: -803.165 Base-Backbone interact. energy: 1.025 local terms energy: -853.219606 where: bonds (distance) C4'-P energy: -144.732 bonds (distance) P-C4' energy: -167.746 flat angles C4'-P-C4' energy: -184.489 flat angles P-C4'-P energy: -119.898 tors. eta vs tors. theta energy: -236.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -2619.368016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.368016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.368016 (E_RNA) where: Base-Base interactions energy: -1838.946 where: short stacking energy: -761.752 Base-Backbone interact. energy: -2.035 local terms energy: -778.386998 where: bonds (distance) C4'-P energy: -150.585 bonds (distance) P-C4' energy: -150.546 flat angles C4'-P-C4' energy: -178.771 flat angles P-C4'-P energy: -102.679 tors. eta vs tors. theta energy: -195.807 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: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -2085.491129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.491129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.491129 (E_RNA) where: Base-Base interactions energy: -1472.274 where: short stacking energy: -616.278 Base-Backbone interact. energy: -0.225 local terms energy: -612.991361 where: bonds (distance) C4'-P energy: -132.461 bonds (distance) P-C4' energy: -140.943 flat angles C4'-P-C4' energy: -130.500 flat angles P-C4'-P energy: -85.498 tors. eta vs tors. theta energy: -123.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3689.469544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3689.469544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3689.469544 (E_RNA) where: Base-Base interactions energy: -2673.422 where: short stacking energy: -1042.977 Base-Backbone interact. energy: -0.241 local terms energy: -1015.806409 where: bonds (distance) C4'-P energy: -177.513 bonds (distance) P-C4' energy: -163.427 flat angles C4'-P-C4' energy: -225.926 flat angles P-C4'-P energy: -151.192 tors. eta vs tors. theta energy: -297.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -3608.165233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3608.165233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3608.165233 (E_RNA) where: Base-Base interactions energy: -2606.981 where: short stacking energy: -1007.938 Base-Backbone interact. energy: -1.585 local terms energy: -999.599853 where: bonds (distance) C4'-P energy: -173.941 bonds (distance) P-C4' energy: -200.276 flat angles C4'-P-C4' energy: -216.014 flat angles P-C4'-P energy: -134.206 tors. eta vs tors. theta energy: -275.163 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: 115 Temperature: 1.000000 Total energy: -3350.832113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.832113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.832113 (E_RNA) where: Base-Base interactions energy: -2426.759 where: short stacking energy: -961.744 Base-Backbone interact. energy: 3.761 local terms energy: -927.833463 where: bonds (distance) C4'-P energy: -177.739 bonds (distance) P-C4' energy: -165.911 flat angles C4'-P-C4' energy: -205.329 flat angles P-C4'-P energy: -125.180 tors. eta vs tors. theta energy: -253.674 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: 4, replica: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -3297.653881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.653881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.653881 (E_RNA) where: Base-Base interactions energy: -2376.343 where: short stacking energy: -957.714 Base-Backbone interact. energy: -1.774 local terms energy: -919.537040 where: bonds (distance) C4'-P energy: -151.754 bonds (distance) P-C4' energy: -187.928 flat angles C4'-P-C4' energy: -190.739 flat angles P-C4'-P energy: -133.172 tors. eta vs tors. theta energy: -255.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -3276.709984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.709984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.709984 (E_RNA) where: Base-Base interactions energy: -2375.303 where: short stacking energy: -937.312 Base-Backbone interact. energy: 2.900 local terms energy: -904.307653 where: bonds (distance) C4'-P energy: -168.541 bonds (distance) P-C4' energy: -143.141 flat angles C4'-P-C4' energy: -197.602 flat angles P-C4'-P energy: -122.447 tors. eta vs tors. theta energy: -272.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -3164.407292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.407292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.407292 (E_RNA) where: Base-Base interactions energy: -2288.681 where: short stacking energy: -927.419 Base-Backbone interact. energy: -1.697 local terms energy: -874.029759 where: bonds (distance) C4'-P energy: -136.252 bonds (distance) P-C4' energy: -163.529 flat angles C4'-P-C4' energy: -188.031 flat angles P-C4'-P energy: -127.900 tors. eta vs tors. theta energy: -258.318 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: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2988.081406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.081406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.081406 (E_RNA) where: Base-Base interactions energy: -2132.256 where: short stacking energy: -834.841 Base-Backbone interact. energy: 1.233 local terms energy: -857.058415 where: bonds (distance) C4'-P energy: -160.361 bonds (distance) P-C4' energy: -150.333 flat angles C4'-P-C4' energy: -189.122 flat angles P-C4'-P energy: -122.441 tors. eta vs tors. theta energy: -234.801 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: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -2876.491568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.491568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.491568 (E_RNA) where: Base-Base interactions energy: -2086.131 where: short stacking energy: -821.626 Base-Backbone interact. energy: -0.558 local terms energy: -789.802212 where: bonds (distance) C4'-P energy: -144.531 bonds (distance) P-C4' energy: -151.896 flat angles C4'-P-C4' energy: -171.540 flat angles P-C4'-P energy: -99.068 tors. eta vs tors. theta energy: -222.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -2636.400869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.400869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.400869 (E_RNA) where: Base-Base interactions energy: -1900.052 where: short stacking energy: -774.339 Base-Backbone interact. energy: -0.448 local terms energy: -735.901269 where: bonds (distance) C4'-P energy: -122.642 bonds (distance) P-C4' energy: -114.997 flat angles C4'-P-C4' energy: -171.325 flat angles P-C4'-P energy: -123.182 tors. eta vs tors. theta energy: -203.756 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: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -2053.767466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.767466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.767466 (E_RNA) where: Base-Base interactions energy: -1389.573 where: short stacking energy: -569.215 Base-Backbone interact. energy: 1.861 local terms energy: -666.055691 where: bonds (distance) C4'-P energy: -128.198 bonds (distance) P-C4' energy: -153.240 flat angles C4'-P-C4' energy: -164.241 flat angles P-C4'-P energy: -97.268 tors. eta vs tors. theta energy: -123.109 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: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -3743.729873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3743.729873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3743.729873 (E_RNA) where: Base-Base interactions energy: -2674.918 where: short stacking energy: -1050.265 Base-Backbone interact. energy: -0.856 local terms energy: -1067.955638 where: bonds (distance) C4'-P energy: -194.271 bonds (distance) P-C4' energy: -190.145 flat angles C4'-P-C4' energy: -228.631 flat angles P-C4'-P energy: -150.487 tors. eta vs tors. theta energy: -304.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -3624.143852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3624.143852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3624.143852 (E_RNA) where: Base-Base interactions energy: -2625.345 where: short stacking energy: -1015.585 Base-Backbone interact. energy: -2.444 local terms energy: -996.355465 where: bonds (distance) C4'-P energy: -193.155 bonds (distance) P-C4' energy: -175.303 flat angles C4'-P-C4' energy: -210.668 flat angles P-C4'-P energy: -147.312 tors. eta vs tors. theta energy: -269.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -3406.940398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3406.940398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3406.940398 (E_RNA) where: Base-Base interactions energy: -2462.856 where: short stacking energy: -956.773 Base-Backbone interact. energy: -0.383 local terms energy: -943.700959 where: bonds (distance) C4'-P energy: -168.244 bonds (distance) P-C4' energy: -161.316 flat angles C4'-P-C4' energy: -202.637 flat angles P-C4'-P energy: -147.883 tors. eta vs tors. theta energy: -263.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -3301.904377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.904377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.904377 (E_RNA) where: Base-Base interactions energy: -2408.689 where: short stacking energy: -969.172 Base-Backbone interact. energy: -1.549 local terms energy: -891.666128 where: bonds (distance) C4'-P energy: -141.522 bonds (distance) P-C4' energy: -158.420 flat angles C4'-P-C4' energy: -195.139 flat angles P-C4'-P energy: -135.251 tors. eta vs tors. theta energy: -261.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -3317.784247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.784247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.784247 (E_RNA) where: Base-Base interactions energy: -2392.684 where: short stacking energy: -961.292 Base-Backbone interact. energy: -1.272 local terms energy: -923.828246 where: bonds (distance) C4'-P energy: -162.031 bonds (distance) P-C4' energy: -158.079 flat angles C4'-P-C4' energy: -198.763 flat angles P-C4'-P energy: -132.948 tors. eta vs tors. theta energy: -272.007 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: 116 Temperature: 1.150000 Total energy: -3131.127431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.127431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.127431 (E_RNA) where: Base-Base interactions energy: -2226.935 where: short stacking energy: -905.399 Base-Backbone interact. energy: 1.010 local terms energy: -905.202506 where: bonds (distance) C4'-P energy: -173.717 bonds (distance) P-C4' energy: -141.962 flat angles C4'-P-C4' energy: -191.990 flat angles P-C4'-P energy: -128.201 tors. eta vs tors. theta energy: -269.332 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: 7, replica: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2953.749357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.749357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.749357 (E_RNA) where: Base-Base interactions energy: -2103.690 where: short stacking energy: -857.758 Base-Backbone interact. energy: -1.334 local terms energy: -848.725693 where: bonds (distance) C4'-P energy: -149.494 bonds (distance) P-C4' energy: -144.872 flat angles C4'-P-C4' energy: -192.542 flat angles P-C4'-P energy: -122.086 tors. eta vs tors. theta energy: -239.733 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: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -2775.288930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.288930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.288930 (E_RNA) where: Base-Base interactions energy: -1998.710 where: short stacking energy: -783.741 Base-Backbone interact. energy: 2.063 local terms energy: -778.642401 where: bonds (distance) C4'-P energy: -150.994 bonds (distance) P-C4' energy: -146.602 flat angles C4'-P-C4' energy: -157.578 flat angles P-C4'-P energy: -102.781 tors. eta vs tors. theta energy: -220.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -2686.340433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.340433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.340433 (E_RNA) where: Base-Base interactions energy: -1912.129 where: short stacking energy: -768.001 Base-Backbone interact. energy: 1.118 local terms energy: -775.328813 where: bonds (distance) C4'-P energy: -138.986 bonds (distance) P-C4' energy: -146.301 flat angles C4'-P-C4' energy: -172.027 flat angles P-C4'-P energy: -116.201 tors. eta vs tors. theta energy: -201.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -2015.242694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.242694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.242694 (E_RNA) where: Base-Base interactions energy: -1370.244 where: short stacking energy: -557.941 Base-Backbone interact. energy: -2.822 local terms energy: -642.176524 where: bonds (distance) C4'-P energy: -133.214 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -146.562 flat angles P-C4'-P energy: -111.360 tors. eta vs tors. theta energy: -113.020 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: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -3710.260910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3710.260910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3710.260910 (E_RNA) where: Base-Base interactions energy: -2692.202 where: short stacking energy: -1066.122 Base-Backbone interact. energy: -0.322 local terms energy: -1017.736625 where: bonds (distance) C4'-P energy: -172.032 bonds (distance) P-C4' energy: -172.802 flat angles C4'-P-C4' energy: -235.688 flat angles P-C4'-P energy: -136.780 tors. eta vs tors. theta energy: -300.435 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: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -3626.428790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3626.428790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3626.428790 (E_RNA) where: Base-Base interactions energy: -2664.838 where: short stacking energy: -1028.013 Base-Backbone interact. energy: 3.831 local terms energy: -965.421982 where: bonds (distance) C4'-P energy: -161.422 bonds (distance) P-C4' energy: -180.470 flat angles C4'-P-C4' energy: -211.477 flat angles P-C4'-P energy: -132.049 tors. eta vs tors. theta energy: -280.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -3417.516125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3417.516125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3417.516125 (E_RNA) where: Base-Base interactions energy: -2478.102 where: short stacking energy: -965.366 Base-Backbone interact. energy: -2.891 local terms energy: -936.522989 where: bonds (distance) C4'-P energy: -175.041 bonds (distance) P-C4' energy: -161.290 flat angles C4'-P-C4' energy: -194.841 flat angles P-C4'-P energy: -142.919 tors. eta vs tors. theta energy: -262.433 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: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -3281.883558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.883558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.883558 (E_RNA) where: Base-Base interactions energy: -2366.968 where: short stacking energy: -953.948 Base-Backbone interact. energy: -4.698 local terms energy: -910.217736 where: bonds (distance) C4'-P energy: -158.322 bonds (distance) P-C4' energy: -158.708 flat angles C4'-P-C4' energy: -209.934 flat angles P-C4'-P energy: -126.593 tors. eta vs tors. theta energy: -256.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -3285.759123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.759123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.759123 (E_RNA) where: Base-Base interactions energy: -2379.192 where: short stacking energy: -934.807 Base-Backbone interact. energy: -1.265 local terms energy: -905.301750 where: bonds (distance) C4'-P energy: -156.699 bonds (distance) P-C4' energy: -171.073 flat angles C4'-P-C4' energy: -200.776 flat angles P-C4'-P energy: -118.053 tors. eta vs tors. theta energy: -258.700 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: 117 Temperature: 1.150000 Total energy: -3127.176168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.176168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.176168 (E_RNA) where: Base-Base interactions energy: -2252.996 where: short stacking energy: -889.943 Base-Backbone interact. energy: 2.563 local terms energy: -876.742302 where: bonds (distance) C4'-P energy: -170.536 bonds (distance) P-C4' energy: -129.083 flat angles C4'-P-C4' energy: -196.059 flat angles P-C4'-P energy: -113.816 tors. eta vs tors. theta energy: -267.249 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: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -3069.147982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.147982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.147982 (E_RNA) where: Base-Base interactions energy: -2206.056 where: short stacking energy: -866.171 Base-Backbone interact. energy: -2.785 local terms energy: -860.306468 where: bonds (distance) C4'-P energy: -139.520 bonds (distance) P-C4' energy: -180.503 flat angles C4'-P-C4' energy: -187.928 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -252.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -2851.337691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.337691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.337691 (E_RNA) where: Base-Base interactions energy: -2051.772 where: short stacking energy: -841.484 Base-Backbone interact. energy: 2.994 local terms energy: -802.560156 where: bonds (distance) C4'-P energy: -128.261 bonds (distance) P-C4' energy: -150.558 flat angles C4'-P-C4' energy: -163.365 flat angles P-C4'-P energy: -132.914 tors. eta vs tors. theta energy: -227.462 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: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -2678.861439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.861439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.861439 (E_RNA) where: Base-Base interactions energy: -1922.671 where: short stacking energy: -737.152 Base-Backbone interact. energy: 1.559 local terms energy: -757.749274 where: bonds (distance) C4'-P energy: -131.337 bonds (distance) P-C4' energy: -153.246 flat angles C4'-P-C4' energy: -184.120 flat angles P-C4'-P energy: -100.671 tors. eta vs tors. theta energy: -188.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -2089.183222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.183222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.183222 (E_RNA) where: Base-Base interactions energy: -1447.795 where: short stacking energy: -581.234 Base-Backbone interact. energy: 6.742 local terms energy: -648.129590 where: bonds (distance) C4'-P energy: -155.404 bonds (distance) P-C4' energy: -142.579 flat angles C4'-P-C4' energy: -133.117 flat angles P-C4'-P energy: -79.010 tors. eta vs tors. theta energy: -138.020 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: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -3676.185807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.185807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.185807 (E_RNA) where: Base-Base interactions energy: -2638.758 where: short stacking energy: -1076.535 Base-Backbone interact. energy: -1.369 local terms energy: -1036.058408 where: bonds (distance) C4'-P energy: -169.620 bonds (distance) P-C4' energy: -187.673 flat angles C4'-P-C4' energy: -218.409 flat angles P-C4'-P energy: -153.301 tors. eta vs tors. theta energy: -307.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -3596.163245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3596.163245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3596.163245 (E_RNA) where: Base-Base interactions energy: -2599.842 where: short stacking energy: -1008.186 Base-Backbone interact. energy: -2.332 local terms energy: -993.988854 where: bonds (distance) C4'-P energy: -163.001 bonds (distance) P-C4' energy: -192.633 flat angles C4'-P-C4' energy: -206.230 flat angles P-C4'-P energy: -150.009 tors. eta vs tors. theta energy: -282.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -3344.020983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3344.020983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3344.020983 (E_RNA) where: Base-Base interactions energy: -2407.810 where: short stacking energy: -908.962 Base-Backbone interact. energy: -2.400 local terms energy: -933.810766 where: bonds (distance) C4'-P energy: -162.251 bonds (distance) P-C4' energy: -185.242 flat angles C4'-P-C4' energy: -200.569 flat angles P-C4'-P energy: -132.717 tors. eta vs tors. theta energy: -253.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -3275.185642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.185642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.185642 (E_RNA) where: Base-Base interactions energy: -2353.049 where: short stacking energy: -903.033 Base-Backbone interact. energy: -2.262 local terms energy: -919.874843 where: bonds (distance) C4'-P energy: -176.346 bonds (distance) P-C4' energy: -175.954 flat angles C4'-P-C4' energy: -190.785 flat angles P-C4'-P energy: -130.793 tors. eta vs tors. theta energy: -245.997 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: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -3282.870351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.870351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.870351 (E_RNA) where: Base-Base interactions energy: -2352.307 where: short stacking energy: -959.420 Base-Backbone interact. energy: -1.143 local terms energy: -929.420023 where: bonds (distance) C4'-P energy: -147.197 bonds (distance) P-C4' energy: -176.546 flat angles C4'-P-C4' energy: -194.274 flat angles P-C4'-P energy: -143.954 tors. eta vs tors. theta energy: -267.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -3131.633523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.633523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.633523 (E_RNA) where: Base-Base interactions energy: -2232.123 where: short stacking energy: -892.799 Base-Backbone interact. energy: -2.034 local terms energy: -897.476649 where: bonds (distance) C4'-P energy: -143.869 bonds (distance) P-C4' energy: -177.074 flat angles C4'-P-C4' energy: -194.012 flat angles P-C4'-P energy: -116.436 tors. eta vs tors. theta energy: -266.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -3054.219715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.219715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.219715 (E_RNA) where: Base-Base interactions energy: -2179.610 where: short stacking energy: -845.570 Base-Backbone interact. energy: -1.732 local terms energy: -872.878150 where: bonds (distance) C4'-P energy: -166.126 bonds (distance) P-C4' energy: -149.836 flat angles C4'-P-C4' energy: -190.980 flat angles P-C4'-P energy: -120.602 tors. eta vs tors. theta energy: -245.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -2908.530669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.530669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.530669 (E_RNA) where: Base-Base interactions energy: -2060.524 where: short stacking energy: -791.352 Base-Backbone interact. energy: 1.111 local terms energy: -849.117502 where: bonds (distance) C4'-P energy: -143.169 bonds (distance) P-C4' energy: -169.796 flat angles C4'-P-C4' energy: -173.899 flat angles P-C4'-P energy: -128.947 tors. eta vs tors. theta energy: -233.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -2653.395837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.395837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.395837 (E_RNA) where: Base-Base interactions energy: -1925.304 where: short stacking energy: -737.634 Base-Backbone interact. energy: 2.059 local terms energy: -730.151112 where: bonds (distance) C4'-P energy: -140.876 bonds (distance) P-C4' energy: -119.748 flat angles C4'-P-C4' energy: -177.649 flat angles P-C4'-P energy: -109.498 tors. eta vs tors. theta energy: -182.380 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: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -2052.838635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.838635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.838635 (E_RNA) where: Base-Base interactions energy: -1406.593 where: short stacking energy: -568.175 Base-Backbone interact. energy: -2.213 local terms energy: -644.032545 where: bonds (distance) C4'-P energy: -133.589 bonds (distance) P-C4' energy: -165.354 flat angles C4'-P-C4' energy: -147.927 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: -132.263 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: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -3704.028531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3704.028531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3704.028531 (E_RNA) where: Base-Base interactions energy: -2646.477 where: short stacking energy: -1048.762 Base-Backbone interact. energy: 1.306 local terms energy: -1058.856754 where: bonds (distance) C4'-P energy: -199.826 bonds (distance) P-C4' energy: -182.379 flat angles C4'-P-C4' energy: -216.100 flat angles P-C4'-P energy: -163.106 tors. eta vs tors. theta energy: -297.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -3604.664302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.664302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3604.664302 (E_RNA) where: Base-Base interactions energy: -2627.785 where: short stacking energy: -998.876 Base-Backbone interact. energy: 1.837 local terms energy: -978.717170 where: bonds (distance) C4'-P energy: -180.092 bonds (distance) P-C4' energy: -160.914 flat angles C4'-P-C4' energy: -216.815 flat angles P-C4'-P energy: -144.795 tors. eta vs tors. theta energy: -276.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -3331.640528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3331.640528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3331.640528 (E_RNA) where: Base-Base interactions energy: -2378.004 where: short stacking energy: -922.699 Base-Backbone interact. energy: 0.214 local terms energy: -953.851061 where: bonds (distance) C4'-P energy: -181.906 bonds (distance) P-C4' energy: -174.205 flat angles C4'-P-C4' energy: -197.390 flat angles P-C4'-P energy: -144.041 tors. eta vs tors. theta energy: -256.309 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: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -3359.463278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3359.463278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3359.463278 (E_RNA) where: Base-Base interactions energy: -2447.283 where: short stacking energy: -944.676 Base-Backbone interact. energy: 4.340 local terms energy: -916.521214 where: bonds (distance) C4'-P energy: -156.814 bonds (distance) P-C4' energy: -177.927 flat angles C4'-P-C4' energy: -198.091 flat angles P-C4'-P energy: -121.034 tors. eta vs tors. theta energy: -262.656 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: 10 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -3198.898005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.898005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.898005 (E_RNA) where: Base-Base interactions energy: -2311.149 where: short stacking energy: -888.368 Base-Backbone interact. energy: -2.223 local terms energy: -885.525916 where: bonds (distance) C4'-P energy: -157.223 bonds (distance) P-C4' energy: -158.502 flat angles C4'-P-C4' energy: -185.837 flat angles P-C4'-P energy: -137.904 tors. eta vs tors. theta energy: -246.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -3110.645924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.645924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.645924 (E_RNA) where: Base-Base interactions energy: -2211.683 where: short stacking energy: -849.336 Base-Backbone interact. energy: -1.816 local terms energy: -897.146739 where: bonds (distance) C4'-P energy: -173.233 bonds (distance) P-C4' energy: -171.816 flat angles C4'-P-C4' energy: -188.852 flat angles P-C4'-P energy: -134.235 tors. eta vs tors. theta energy: -229.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2982.934464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.934464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.934464 (E_RNA) where: Base-Base interactions energy: -2144.085 where: short stacking energy: -855.859 Base-Backbone interact. energy: 4.866 local terms energy: -843.715114 where: bonds (distance) C4'-P energy: -159.774 bonds (distance) P-C4' energy: -149.692 flat angles C4'-P-C4' energy: -176.425 flat angles P-C4'-P energy: -120.989 tors. eta vs tors. theta energy: -236.835 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: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -2908.149995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.149995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.149995 (E_RNA) where: Base-Base interactions energy: -2109.831 where: short stacking energy: -840.956 Base-Backbone interact. energy: -0.688 local terms energy: -797.630784 where: bonds (distance) C4'-P energy: -145.930 bonds (distance) P-C4' energy: -128.061 flat angles C4'-P-C4' energy: -176.879 flat angles P-C4'-P energy: -117.291 tors. eta vs tors. theta energy: -229.470 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: 9, replica: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -2558.407443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.407443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.407443 (E_RNA) where: Base-Base interactions energy: -1798.963 where: short stacking energy: -709.813 Base-Backbone interact. energy: -3.261 local terms energy: -756.183674 where: bonds (distance) C4'-P energy: -144.259 bonds (distance) P-C4' energy: -160.604 flat angles C4'-P-C4' energy: -175.570 flat angles P-C4'-P energy: -87.940 tors. eta vs tors. theta energy: -187.810 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: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -2017.778178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.778178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.778178 (E_RNA) where: Base-Base interactions energy: -1347.620 where: short stacking energy: -552.986 Base-Backbone interact. energy: -2.406 local terms energy: -667.752039 where: bonds (distance) C4'-P energy: -144.907 bonds (distance) P-C4' energy: -163.531 flat angles C4'-P-C4' energy: -167.087 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -100.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3709.241910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3709.241910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3709.241910 (E_RNA) where: Base-Base interactions energy: -2653.253 where: short stacking energy: -1067.022 Base-Backbone interact. energy: 0.021 local terms energy: -1056.010689 where: bonds (distance) C4'-P energy: -179.895 bonds (distance) P-C4' energy: -184.971 flat angles C4'-P-C4' energy: -234.515 flat angles P-C4'-P energy: -159.157 tors. eta vs tors. theta energy: -297.473 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: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -3611.788395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3611.788395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3611.788395 (E_RNA) where: Base-Base interactions energy: -2625.728 where: short stacking energy: -1023.105 Base-Backbone interact. energy: -1.322 local terms energy: -984.738608 where: bonds (distance) C4'-P energy: -189.950 bonds (distance) P-C4' energy: -175.874 flat angles C4'-P-C4' energy: -199.270 flat angles P-C4'-P energy: -148.410 tors. eta vs tors. theta energy: -271.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -3433.269577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3433.269577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3433.269577 (E_RNA) where: Base-Base interactions energy: -2471.624 where: short stacking energy: -990.133 Base-Backbone interact. energy: -2.517 local terms energy: -959.128525 where: bonds (distance) C4'-P energy: -173.168 bonds (distance) P-C4' energy: -173.267 flat angles C4'-P-C4' energy: -214.937 flat angles P-C4'-P energy: -126.491 tors. eta vs tors. theta energy: -271.265 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: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -3290.797322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.797322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.797322 (E_RNA) where: Base-Base interactions energy: -2377.322 where: short stacking energy: -902.776 Base-Backbone interact. energy: -2.758 local terms energy: -910.717669 where: bonds (distance) C4'-P energy: -160.605 bonds (distance) P-C4' energy: -168.611 flat angles C4'-P-C4' energy: -187.744 flat angles P-C4'-P energy: -150.898 tors. eta vs tors. theta energy: -242.859 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: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -3155.254030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.254030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.254030 (E_RNA) where: Base-Base interactions energy: -2257.366 where: short stacking energy: -880.002 Base-Backbone interact. energy: -0.927 local terms energy: -896.961092 where: bonds (distance) C4'-P energy: -158.275 bonds (distance) P-C4' energy: -164.075 flat angles C4'-P-C4' energy: -193.714 flat angles P-C4'-P energy: -123.358 tors. eta vs tors. theta energy: -257.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -3027.412160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.412160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.412160 (E_RNA) where: Base-Base interactions energy: -2184.123 where: short stacking energy: -874.113 Base-Backbone interact. energy: -2.077 local terms energy: -841.211427 where: bonds (distance) C4'-P energy: -144.204 bonds (distance) P-C4' energy: -160.386 flat angles C4'-P-C4' energy: -170.232 flat angles P-C4'-P energy: -124.746 tors. eta vs tors. theta energy: -241.643 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: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -3003.505278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.505278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.505278 (E_RNA) where: Base-Base interactions energy: -2195.617 where: short stacking energy: -849.151 Base-Backbone interact. energy: 2.143 local terms energy: -810.031970 where: bonds (distance) C4'-P energy: -141.194 bonds (distance) P-C4' energy: -125.418 flat angles C4'-P-C4' energy: -186.646 flat angles P-C4'-P energy: -116.837 tors. eta vs tors. theta energy: -239.937 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: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -2846.124259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.124259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.124259 (E_RNA) where: Base-Base interactions energy: -2039.770 where: short stacking energy: -795.659 Base-Backbone interact. energy: 0.711 local terms energy: -807.065173 where: bonds (distance) C4'-P energy: -134.665 bonds (distance) P-C4' energy: -152.378 flat angles C4'-P-C4' energy: -181.407 flat angles P-C4'-P energy: -119.709 tors. eta vs tors. theta energy: -218.906 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: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -2542.566763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.566763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.566763 (E_RNA) where: Base-Base interactions energy: -1819.682 where: short stacking energy: -717.384 Base-Backbone interact. energy: -0.226 local terms energy: -722.658177 where: bonds (distance) C4'-P energy: -148.799 bonds (distance) P-C4' energy: -131.144 flat angles C4'-P-C4' energy: -151.856 flat angles P-C4'-P energy: -106.947 tors. eta vs tors. theta energy: -183.912 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: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -2028.510776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.510776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.510776 (E_RNA) where: Base-Base interactions energy: -1356.350 where: short stacking energy: -562.268 Base-Backbone interact. energy: 1.256 local terms energy: -673.416617 where: bonds (distance) C4'-P energy: -114.171 bonds (distance) P-C4' energy: -146.942 flat angles C4'-P-C4' energy: -166.594 flat angles P-C4'-P energy: -113.357 tors. eta vs tors. theta energy: -132.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -3704.885504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3704.885504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3704.885504 (E_RNA) where: Base-Base interactions energy: -2629.158 where: short stacking energy: -1064.819 Base-Backbone interact. energy: -2.510 local terms energy: -1073.216839 where: bonds (distance) C4'-P energy: -188.046 bonds (distance) P-C4' energy: -196.129 flat angles C4'-P-C4' energy: -226.142 flat angles P-C4'-P energy: -152.196 tors. eta vs tors. theta energy: -310.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -3595.112191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3595.112191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3595.112191 (E_RNA) where: Base-Base interactions energy: -2615.931 where: short stacking energy: -1022.802 Base-Backbone interact. energy: -2.067 local terms energy: -977.114466 where: bonds (distance) C4'-P energy: -168.716 bonds (distance) P-C4' energy: -164.928 flat angles C4'-P-C4' energy: -221.962 flat angles P-C4'-P energy: -147.443 tors. eta vs tors. theta energy: -274.065 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: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -3437.809136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.809136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.809136 (E_RNA) where: Base-Base interactions energy: -2471.158 where: short stacking energy: -958.828 Base-Backbone interact. energy: 1.246 local terms energy: -967.898001 where: bonds (distance) C4'-P energy: -178.120 bonds (distance) P-C4' energy: -175.571 flat angles C4'-P-C4' energy: -205.406 flat angles P-C4'-P energy: -140.838 tors. eta vs tors. theta energy: -267.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -3317.310954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.310954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.310954 (E_RNA) where: Base-Base interactions energy: -2394.953 where: short stacking energy: -905.399 Base-Backbone interact. energy: 1.064 local terms energy: -923.421226 where: bonds (distance) C4'-P energy: -168.856 bonds (distance) P-C4' energy: -193.355 flat angles C4'-P-C4' energy: -192.778 flat angles P-C4'-P energy: -122.608 tors. eta vs tors. theta energy: -245.824 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: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -3157.749614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.749614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.749614 (E_RNA) where: Base-Base interactions energy: -2263.789 where: short stacking energy: -873.071 Base-Backbone interact. energy: -1.165 local terms energy: -892.794697 where: bonds (distance) C4'-P energy: -170.806 bonds (distance) P-C4' energy: -170.425 flat angles C4'-P-C4' energy: -182.548 flat angles P-C4'-P energy: -122.132 tors. eta vs tors. theta energy: -246.885 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: 121 Temperature: 1.150000 Total energy: -3043.898281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.898281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.898281 (E_RNA) where: Base-Base interactions energy: -2190.765 where: short stacking energy: -867.561 Base-Backbone interact. energy: 5.389 local terms energy: -858.522437 where: bonds (distance) C4'-P energy: -141.446 bonds (distance) P-C4' energy: -175.664 flat angles C4'-P-C4' energy: -180.300 flat angles P-C4'-P energy: -118.622 tors. eta vs tors. theta energy: -242.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -3049.344510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.344510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.344510 (E_RNA) where: Base-Base interactions energy: -2179.736 where: short stacking energy: -858.909 Base-Backbone interact. energy: -0.513 local terms energy: -869.095408 where: bonds (distance) C4'-P energy: -171.905 bonds (distance) P-C4' energy: -151.567 flat angles C4'-P-C4' energy: -183.884 flat angles P-C4'-P energy: -121.840 tors. eta vs tors. theta energy: -239.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -2910.125641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.125641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.125641 (E_RNA) where: Base-Base interactions energy: -2088.681 where: short stacking energy: -837.949 Base-Backbone interact. energy: 0.863 local terms energy: -822.307671 where: bonds (distance) C4'-P energy: -157.797 bonds (distance) P-C4' energy: -135.737 flat angles C4'-P-C4' energy: -169.363 flat angles P-C4'-P energy: -128.716 tors. eta vs tors. theta energy: -230.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -2697.908436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.908436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.908436 (E_RNA) where: Base-Base interactions energy: -1918.647 where: short stacking energy: -724.438 Base-Backbone interact. energy: 0.240 local terms energy: -779.500620 where: bonds (distance) C4'-P energy: -145.050 bonds (distance) P-C4' energy: -159.467 flat angles C4'-P-C4' energy: -164.700 flat angles P-C4'-P energy: -121.992 tors. eta vs tors. theta energy: -188.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1954.096854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.096854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.096854 (E_RNA) where: Base-Base interactions energy: -1333.252 where: short stacking energy: -578.403 Base-Backbone interact. energy: 8.620 local terms energy: -629.465227 where: bonds (distance) C4'-P energy: -127.255 bonds (distance) P-C4' energy: -150.000 flat angles C4'-P-C4' energy: -147.359 flat angles P-C4'-P energy: -87.509 tors. eta vs tors. theta energy: -117.343 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: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -3743.174979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3743.174979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3743.174979 (E_RNA) where: Base-Base interactions energy: -2684.722 where: short stacking energy: -1071.327 Base-Backbone interact. energy: -0.179 local terms energy: -1058.274155 where: bonds (distance) C4'-P energy: -187.721 bonds (distance) P-C4' energy: -182.599 flat angles C4'-P-C4' energy: -230.562 flat angles P-C4'-P energy: -142.539 tors. eta vs tors. theta energy: -314.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -3633.376394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3633.376394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3633.376394 (E_RNA) where: Base-Base interactions energy: -2629.921 where: short stacking energy: -1033.043 Base-Backbone interact. energy: -0.425 local terms energy: -1003.030458 where: bonds (distance) C4'-P energy: -187.119 bonds (distance) P-C4' energy: -180.901 flat angles C4'-P-C4' energy: -214.976 flat angles P-C4'-P energy: -133.384 tors. eta vs tors. theta energy: -286.650 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: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -3462.868297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.868297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.868297 (E_RNA) where: Base-Base interactions energy: -2478.684 where: short stacking energy: -977.949 Base-Backbone interact. energy: -0.667 local terms energy: -983.516764 where: bonds (distance) C4'-P energy: -180.206 bonds (distance) P-C4' energy: -175.963 flat angles C4'-P-C4' energy: -202.982 flat angles P-C4'-P energy: -150.078 tors. eta vs tors. theta energy: -274.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -3313.285824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.285824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.285824 (E_RNA) where: Base-Base interactions energy: -2421.278 where: short stacking energy: -929.423 Base-Backbone interact. energy: -0.213 local terms energy: -891.794972 where: bonds (distance) C4'-P energy: -156.301 bonds (distance) P-C4' energy: -183.465 flat angles C4'-P-C4' energy: -191.708 flat angles P-C4'-P energy: -107.909 tors. eta vs tors. theta energy: -252.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -3174.282288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.282288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.282288 (E_RNA) where: Base-Base interactions energy: -2251.290 where: short stacking energy: -908.502 Base-Backbone interact. energy: -1.256 local terms energy: -921.736185 where: bonds (distance) C4'-P energy: -167.327 bonds (distance) P-C4' energy: -168.432 flat angles C4'-P-C4' energy: -200.700 flat angles P-C4'-P energy: -132.538 tors. eta vs tors. theta energy: -252.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -3088.822094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.822094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.822094 (E_RNA) where: Base-Base interactions energy: -2229.198 where: short stacking energy: -874.383 Base-Backbone interact. energy: -2.670 local terms energy: -856.954169 where: bonds (distance) C4'-P energy: -142.102 bonds (distance) P-C4' energy: -152.621 flat angles C4'-P-C4' energy: -193.696 flat angles P-C4'-P energy: -118.439 tors. eta vs tors. theta energy: -250.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -3064.476794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.476794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.476794 (E_RNA) where: Base-Base interactions energy: -2213.859 where: short stacking energy: -872.188 Base-Backbone interact. energy: 0.407 local terms energy: -851.025009 where: bonds (distance) C4'-P energy: -159.163 bonds (distance) P-C4' energy: -140.543 flat angles C4'-P-C4' energy: -190.209 flat angles P-C4'-P energy: -109.615 tors. eta vs tors. theta energy: -251.494 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: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -2837.338624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.338624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.338624 (E_RNA) where: Base-Base interactions energy: -2027.907 where: short stacking energy: -811.122 Base-Backbone interact. energy: 2.914 local terms energy: -812.345649 where: bonds (distance) C4'-P energy: -134.283 bonds (distance) P-C4' energy: -161.919 flat angles C4'-P-C4' energy: -182.704 flat angles P-C4'-P energy: -103.811 tors. eta vs tors. theta energy: -229.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -2686.204282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.204282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.204282 (E_RNA) where: Base-Base interactions energy: -1924.222 where: short stacking energy: -718.909 Base-Backbone interact. energy: 1.740 local terms energy: -763.722417 where: bonds (distance) C4'-P energy: -155.888 bonds (distance) P-C4' energy: -150.646 flat angles C4'-P-C4' energy: -162.861 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -193.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1998.836872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.836872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.836872 (E_RNA) where: Base-Base interactions energy: -1335.728 where: short stacking energy: -551.646 Base-Backbone interact. energy: 3.388 local terms energy: -666.496981 where: bonds (distance) C4'-P energy: -140.771 bonds (distance) P-C4' energy: -139.113 flat angles C4'-P-C4' energy: -156.112 flat angles P-C4'-P energy: -111.224 tors. eta vs tors. theta energy: -119.277 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: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -3761.418914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3761.418914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3761.418914 (E_RNA) where: Base-Base interactions energy: -2696.191 where: short stacking energy: -1066.438 Base-Backbone interact. energy: -1.079 local terms energy: -1064.148798 where: bonds (distance) C4'-P energy: -190.071 bonds (distance) P-C4' energy: -190.363 flat angles C4'-P-C4' energy: -224.822 flat angles P-C4'-P energy: -155.359 tors. eta vs tors. theta energy: -303.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -3634.601666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3634.601666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3634.601666 (E_RNA) where: Base-Base interactions energy: -2646.940 where: short stacking energy: -1026.762 Base-Backbone interact. energy: 0.278 local terms energy: -987.939818 where: bonds (distance) C4'-P energy: -170.153 bonds (distance) P-C4' energy: -187.906 flat angles C4'-P-C4' energy: -205.108 flat angles P-C4'-P energy: -140.906 tors. eta vs tors. theta energy: -283.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -3461.242220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.242220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.242220 (E_RNA) where: Base-Base interactions energy: -2516.462 where: short stacking energy: -1009.225 Base-Backbone interact. energy: 1.694 local terms energy: -946.474598 where: bonds (distance) C4'-P energy: -176.503 bonds (distance) P-C4' energy: -141.980 flat angles C4'-P-C4' energy: -209.328 flat angles P-C4'-P energy: -133.280 tors. eta vs tors. theta energy: -285.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -3313.511058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.511058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.511058 (E_RNA) where: Base-Base interactions energy: -2391.229 where: short stacking energy: -923.004 Base-Backbone interact. energy: -1.737 local terms energy: -920.545403 where: bonds (distance) C4'-P energy: -143.220 bonds (distance) P-C4' energy: -187.806 flat angles C4'-P-C4' energy: -215.609 flat angles P-C4'-P energy: -119.321 tors. eta vs tors. theta energy: -254.589 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: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -3141.684290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.684290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.684290 (E_RNA) where: Base-Base interactions energy: -2253.861 where: short stacking energy: -907.917 Base-Backbone interact. energy: 0.001 local terms energy: -887.824615 where: bonds (distance) C4'-P energy: -151.785 bonds (distance) P-C4' energy: -155.242 flat angles C4'-P-C4' energy: -198.751 flat angles P-C4'-P energy: -128.950 tors. eta vs tors. theta energy: -253.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -3097.462989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.462989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.462989 (E_RNA) where: Base-Base interactions energy: -2228.983 where: short stacking energy: -901.086 Base-Backbone interact. energy: 3.080 local terms energy: -871.559866 where: bonds (distance) C4'-P energy: -163.895 bonds (distance) P-C4' energy: -143.429 flat angles C4'-P-C4' energy: -198.683 flat angles P-C4'-P energy: -120.366 tors. eta vs tors. theta energy: -245.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -3066.799984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.799984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.799984 (E_RNA) where: Base-Base interactions energy: -2200.346 where: short stacking energy: -867.735 Base-Backbone interact. energy: 3.337 local terms energy: -869.790860 where: bonds (distance) C4'-P energy: -159.141 bonds (distance) P-C4' energy: -147.821 flat angles C4'-P-C4' energy: -190.335 flat angles P-C4'-P energy: -125.702 tors. eta vs tors. theta energy: -246.792 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: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -2892.179390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.179390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.179390 (E_RNA) where: Base-Base interactions energy: -2063.676 where: short stacking energy: -829.796 Base-Backbone interact. energy: 0.900 local terms energy: -829.403285 where: bonds (distance) C4'-P energy: -132.655 bonds (distance) P-C4' energy: -166.503 flat angles C4'-P-C4' energy: -178.051 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -246.376 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: 9, replica: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -2538.915456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.915456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.915456 (E_RNA) where: Base-Base interactions energy: -1831.886 where: short stacking energy: -713.260 Base-Backbone interact. energy: 4.418 local terms energy: -711.447472 where: bonds (distance) C4'-P energy: -109.693 bonds (distance) P-C4' energy: -165.150 flat angles C4'-P-C4' energy: -166.866 flat angles P-C4'-P energy: -74.782 tors. eta vs tors. theta energy: -194.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -2022.185039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.185039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.185039 (E_RNA) where: Base-Base interactions energy: -1376.407 where: short stacking energy: -581.611 Base-Backbone interact. energy: 5.400 local terms energy: -651.178580 where: bonds (distance) C4'-P energy: -149.975 bonds (distance) P-C4' energy: -152.455 flat angles C4'-P-C4' energy: -155.550 flat angles P-C4'-P energy: -81.139 tors. eta vs tors. theta energy: -112.060 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: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -3733.505715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3733.505715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3733.505715 (E_RNA) where: Base-Base interactions energy: -2659.469 where: short stacking energy: -1039.154 Base-Backbone interact. energy: -2.373 local terms energy: -1071.663989 where: bonds (distance) C4'-P energy: -186.278 bonds (distance) P-C4' energy: -203.285 flat angles C4'-P-C4' energy: -232.037 flat angles P-C4'-P energy: -142.017 tors. eta vs tors. theta energy: -308.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -3622.087795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3622.087795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3622.087795 (E_RNA) where: Base-Base interactions energy: -2628.922 where: short stacking energy: -1036.064 Base-Backbone interact. energy: -1.053 local terms energy: -992.112260 where: bonds (distance) C4'-P energy: -175.541 bonds (distance) P-C4' energy: -182.658 flat angles C4'-P-C4' energy: -215.048 flat angles P-C4'-P energy: -125.633 tors. eta vs tors. theta energy: -293.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -3467.447272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.447272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.447272 (E_RNA) where: Base-Base interactions energy: -2512.642 where: short stacking energy: -1003.431 Base-Backbone interact. energy: -0.455 local terms energy: -954.349732 where: bonds (distance) C4'-P energy: -167.763 bonds (distance) P-C4' energy: -164.032 flat angles C4'-P-C4' energy: -203.295 flat angles P-C4'-P energy: -136.439 tors. eta vs tors. theta energy: -282.821 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: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -3349.263024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3349.263024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3349.263024 (E_RNA) where: Base-Base interactions energy: -2416.197 where: short stacking energy: -915.831 Base-Backbone interact. energy: -4.287 local terms energy: -928.778670 where: bonds (distance) C4'-P energy: -159.675 bonds (distance) P-C4' energy: -175.494 flat angles C4'-P-C4' energy: -187.507 flat angles P-C4'-P energy: -141.797 tors. eta vs tors. theta energy: -264.306 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: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -3176.067171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.067171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.067171 (E_RNA) where: Base-Base interactions energy: -2246.459 where: short stacking energy: -899.398 Base-Backbone interact. energy: -1.976 local terms energy: -927.632897 where: bonds (distance) C4'-P energy: -152.262 bonds (distance) P-C4' energy: -163.830 flat angles C4'-P-C4' energy: -201.716 flat angles P-C4'-P energy: -146.893 tors. eta vs tors. theta energy: -262.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -3133.527837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.527837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.527837 (E_RNA) where: Base-Base interactions energy: -2278.517 where: short stacking energy: -894.973 Base-Backbone interact. energy: 4.754 local terms energy: -859.764710 where: bonds (distance) C4'-P energy: -149.099 bonds (distance) P-C4' energy: -141.042 flat angles C4'-P-C4' energy: -181.893 flat angles P-C4'-P energy: -130.605 tors. eta vs tors. theta energy: -257.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -3025.623882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.623882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.623882 (E_RNA) where: Base-Base interactions energy: -2160.119 where: short stacking energy: -839.995 Base-Backbone interact. energy: -4.196 local terms energy: -861.309622 where: bonds (distance) C4'-P energy: -155.141 bonds (distance) P-C4' energy: -168.938 flat angles C4'-P-C4' energy: -185.056 flat angles P-C4'-P energy: -120.593 tors. eta vs tors. theta energy: -231.582 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: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -2956.207827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.207827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.207827 (E_RNA) where: Base-Base interactions energy: -2088.150 where: short stacking energy: -832.462 Base-Backbone interact. energy: -3.236 local terms energy: -864.821475 where: bonds (distance) C4'-P energy: -143.142 bonds (distance) P-C4' energy: -150.085 flat angles C4'-P-C4' energy: -194.960 flat angles P-C4'-P energy: -131.673 tors. eta vs tors. theta energy: -244.961 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: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -2650.145952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.145952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.145952 (E_RNA) where: Base-Base interactions energy: -1910.620 where: short stacking energy: -763.645 Base-Backbone interact. energy: 3.364 local terms energy: -742.890024 where: bonds (distance) C4'-P energy: -131.073 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -170.124 flat angles P-C4'-P energy: -89.742 tors. eta vs tors. theta energy: -190.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -2053.379863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.379863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.379863 (E_RNA) where: Base-Base interactions energy: -1406.096 where: short stacking energy: -566.144 Base-Backbone interact. energy: 2.218 local terms energy: -649.502105 where: bonds (distance) C4'-P energy: -145.943 bonds (distance) P-C4' energy: -157.885 flat angles C4'-P-C4' energy: -144.275 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -121.224 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: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3729.265504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3729.265504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3729.265504 (E_RNA) where: Base-Base interactions energy: -2674.546 where: short stacking energy: -1050.794 Base-Backbone interact. energy: -2.305 local terms energy: -1052.414353 where: bonds (distance) C4'-P energy: -197.089 bonds (distance) P-C4' energy: -176.325 flat angles C4'-P-C4' energy: -232.056 flat angles P-C4'-P energy: -145.862 tors. eta vs tors. theta energy: -301.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -3651.940968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3651.940968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3651.940968 (E_RNA) where: Base-Base interactions energy: -2666.758 where: short stacking energy: -1031.038 Base-Backbone interact. energy: -2.093 local terms energy: -983.090240 where: bonds (distance) C4'-P energy: -176.347 bonds (distance) P-C4' energy: -168.053 flat angles C4'-P-C4' energy: -213.058 flat angles P-C4'-P energy: -139.582 tors. eta vs tors. theta energy: -286.049 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: 125 Temperature: 1.000000 Total energy: -3456.768929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3456.768929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3456.768929 (E_RNA) where: Base-Base interactions energy: -2493.975 where: short stacking energy: -996.138 Base-Backbone interact. energy: -2.995 local terms energy: -959.798995 where: bonds (distance) C4'-P energy: -158.519 bonds (distance) P-C4' energy: -170.815 flat angles C4'-P-C4' energy: -203.671 flat angles P-C4'-P energy: -134.847 tors. eta vs tors. theta energy: -291.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -3367.653174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3367.653174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3367.653174 (E_RNA) where: Base-Base interactions energy: -2433.676 where: short stacking energy: -935.911 Base-Backbone interact. energy: -1.632 local terms energy: -932.345222 where: bonds (distance) C4'-P energy: -179.123 bonds (distance) P-C4' energy: -152.289 flat angles C4'-P-C4' energy: -208.193 flat angles P-C4'-P energy: -133.475 tors. eta vs tors. theta energy: -259.265 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: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -3227.446596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.446596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.446596 (E_RNA) where: Base-Base interactions energy: -2349.030 where: short stacking energy: -920.864 Base-Backbone interact. energy: 2.798 local terms energy: -881.215222 where: bonds (distance) C4'-P energy: -132.643 bonds (distance) P-C4' energy: -171.318 flat angles C4'-P-C4' energy: -192.949 flat angles P-C4'-P energy: -129.287 tors. eta vs tors. theta energy: -255.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -3202.308899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.308899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.308899 (E_RNA) where: Base-Base interactions energy: -2369.723 where: short stacking energy: -902.567 Base-Backbone interact. energy: 0.653 local terms energy: -833.238104 where: bonds (distance) C4'-P energy: -156.105 bonds (distance) P-C4' energy: -132.520 flat angles C4'-P-C4' energy: -188.123 flat angles P-C4'-P energy: -109.922 tors. eta vs tors. theta energy: -246.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -3048.829680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.829680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.829680 (E_RNA) where: Base-Base interactions energy: -2190.995 where: short stacking energy: -851.752 Base-Backbone interact. energy: -1.446 local terms energy: -856.388135 where: bonds (distance) C4'-P energy: -140.460 bonds (distance) P-C4' energy: -158.166 flat angles C4'-P-C4' energy: -194.966 flat angles P-C4'-P energy: -119.076 tors. eta vs tors. theta energy: -243.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -2937.125375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.125375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.125375 (E_RNA) where: Base-Base interactions energy: -2088.277 where: short stacking energy: -842.497 Base-Backbone interact. energy: 1.889 local terms energy: -850.737338 where: bonds (distance) C4'-P energy: -150.376 bonds (distance) P-C4' energy: -155.664 flat angles C4'-P-C4' energy: -176.531 flat angles P-C4'-P energy: -110.894 tors. eta vs tors. theta energy: -257.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -2644.194667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.194667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.194667 (E_RNA) where: Base-Base interactions energy: -1894.363 where: short stacking energy: -758.025 Base-Backbone interact. energy: -0.270 local terms energy: -749.562021 where: bonds (distance) C4'-P energy: -156.337 bonds (distance) P-C4' energy: -117.997 flat angles C4'-P-C4' energy: -148.387 flat angles P-C4'-P energy: -129.992 tors. eta vs tors. theta energy: -196.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -2031.391179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.391179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.391179 (E_RNA) where: Base-Base interactions energy: -1369.865 where: short stacking energy: -593.726 Base-Backbone interact. energy: 1.983 local terms energy: -663.509145 where: bonds (distance) C4'-P energy: -126.458 bonds (distance) P-C4' energy: -147.299 flat angles C4'-P-C4' energy: -153.964 flat angles P-C4'-P energy: -98.072 tors. eta vs tors. theta energy: -137.715 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: 126 Temperature: 0.900000 Total energy: -3701.342395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3701.342395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3701.342395 (E_RNA) where: Base-Base interactions energy: -2642.152 where: short stacking energy: -1041.044 Base-Backbone interact. energy: 1.116 local terms energy: -1060.306931 where: bonds (distance) C4'-P energy: -197.191 bonds (distance) P-C4' energy: -183.508 flat angles C4'-P-C4' energy: -217.227 flat angles P-C4'-P energy: -158.240 tors. eta vs tors. theta energy: -304.141 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: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -3663.310631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3663.310631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3663.310631 (E_RNA) where: Base-Base interactions energy: -2643.592 where: short stacking energy: -1045.686 Base-Backbone interact. energy: 1.304 local terms energy: -1021.022034 where: bonds (distance) C4'-P energy: -182.648 bonds (distance) P-C4' energy: -180.003 flat angles C4'-P-C4' energy: -220.554 flat angles P-C4'-P energy: -148.330 tors. eta vs tors. theta energy: -289.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -3425.916131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3425.916131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3425.916131 (E_RNA) where: Base-Base interactions energy: -2477.360 where: short stacking energy: -944.271 Base-Backbone interact. energy: -3.867 local terms energy: -944.688846 where: bonds (distance) C4'-P energy: -157.258 bonds (distance) P-C4' energy: -186.225 flat angles C4'-P-C4' energy: -206.402 flat angles P-C4'-P energy: -140.231 tors. eta vs tors. theta energy: -254.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -3394.904807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3394.904807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3394.904807 (E_RNA) where: Base-Base interactions energy: -2456.563 where: short stacking energy: -965.850 Base-Backbone interact. energy: -2.674 local terms energy: -935.667860 where: bonds (distance) C4'-P energy: -150.367 bonds (distance) P-C4' energy: -162.089 flat angles C4'-P-C4' energy: -213.587 flat angles P-C4'-P energy: -137.062 tors. eta vs tors. theta energy: -272.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -3264.633728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.633728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.633728 (E_RNA) where: Base-Base interactions energy: -2334.546 where: short stacking energy: -946.493 Base-Backbone interact. energy: -1.939 local terms energy: -928.148830 where: bonds (distance) C4'-P energy: -160.835 bonds (distance) P-C4' energy: -167.628 flat angles C4'-P-C4' energy: -195.345 flat angles P-C4'-P energy: -141.248 tors. eta vs tors. theta energy: -263.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -3190.628149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.628149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.628149 (E_RNA) where: Base-Base interactions energy: -2329.622 where: short stacking energy: -912.871 Base-Backbone interact. energy: -0.260 local terms energy: -860.746821 where: bonds (distance) C4'-P energy: -138.732 bonds (distance) P-C4' energy: -151.060 flat angles C4'-P-C4' energy: -194.310 flat angles P-C4'-P energy: -130.221 tors. eta vs tors. theta energy: -246.424 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: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -3031.228531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.228531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.228531 (E_RNA) where: Base-Base interactions energy: -2193.987 where: short stacking energy: -868.779 Base-Backbone interact. energy: 0.726 local terms energy: -837.967627 where: bonds (distance) C4'-P energy: -123.228 bonds (distance) P-C4' energy: -159.714 flat angles C4'-P-C4' energy: -198.274 flat angles P-C4'-P energy: -114.985 tors. eta vs tors. theta energy: -241.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -2925.653220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.653220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.653220 (E_RNA) where: Base-Base interactions energy: -2086.453 where: short stacking energy: -834.971 Base-Backbone interact. energy: -0.796 local terms energy: -838.404092 where: bonds (distance) C4'-P energy: -156.714 bonds (distance) P-C4' energy: -146.548 flat angles C4'-P-C4' energy: -183.311 flat angles P-C4'-P energy: -110.696 tors. eta vs tors. theta energy: -241.134 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: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -2668.556864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.556864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.556864 (E_RNA) where: Base-Base interactions energy: -1929.327 where: short stacking energy: -771.458 Base-Backbone interact. energy: -1.370 local terms energy: -737.860206 where: bonds (distance) C4'-P energy: -134.894 bonds (distance) P-C4' energy: -140.639 flat angles C4'-P-C4' energy: -150.137 flat angles P-C4'-P energy: -117.931 tors. eta vs tors. theta energy: -194.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -2027.781414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.781414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.781414 (E_RNA) where: Base-Base interactions energy: -1371.198 where: short stacking energy: -561.392 Base-Backbone interact. energy: 0.511 local terms energy: -657.094268 where: bonds (distance) C4'-P energy: -123.772 bonds (distance) P-C4' energy: -144.262 flat angles C4'-P-C4' energy: -175.787 flat angles P-C4'-P energy: -88.127 tors. eta vs tors. theta energy: -125.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3729.981706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3729.981706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3729.981706 (E_RNA) where: Base-Base interactions energy: -2677.717 where: short stacking energy: -1049.399 Base-Backbone interact. energy: -1.299 local terms energy: -1050.965640 where: bonds (distance) C4'-P energy: -184.719 bonds (distance) P-C4' energy: -181.240 flat angles C4'-P-C4' energy: -225.710 flat angles P-C4'-P energy: -155.294 tors. eta vs tors. theta energy: -304.003 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: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -3659.943757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3659.943757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3659.943757 (E_RNA) where: Base-Base interactions energy: -2649.095 where: short stacking energy: -1038.900 Base-Backbone interact. energy: -2.385 local terms energy: -1008.463534 where: bonds (distance) C4'-P energy: -181.822 bonds (distance) P-C4' energy: -195.473 flat angles C4'-P-C4' energy: -214.327 flat angles P-C4'-P energy: -123.207 tors. eta vs tors. theta energy: -293.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -3475.110678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3475.110678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3475.110678 (E_RNA) where: Base-Base interactions energy: -2502.532 where: short stacking energy: -970.824 Base-Backbone interact. energy: -2.056 local terms energy: -970.522330 where: bonds (distance) C4'-P energy: -181.380 bonds (distance) P-C4' energy: -182.421 flat angles C4'-P-C4' energy: -198.734 flat angles P-C4'-P energy: -135.553 tors. eta vs tors. theta energy: -272.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -3322.152795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3322.152795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3322.152795 (E_RNA) where: Base-Base interactions energy: -2361.334 where: short stacking energy: -970.111 Base-Backbone interact. energy: 0.255 local terms energy: -961.074073 where: bonds (distance) C4'-P energy: -158.968 bonds (distance) P-C4' energy: -176.845 flat angles C4'-P-C4' energy: -207.967 flat angles P-C4'-P energy: -146.269 tors. eta vs tors. theta energy: -271.025 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: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -3357.286154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3357.286154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3357.286154 (E_RNA) where: Base-Base interactions energy: -2411.862 where: short stacking energy: -953.530 Base-Backbone interact. energy: 0.653 local terms energy: -946.077317 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -175.022 flat angles C4'-P-C4' energy: -201.489 flat angles P-C4'-P energy: -128.790 tors. eta vs tors. theta energy: -285.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -3192.453080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.453080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.453080 (E_RNA) where: Base-Base interactions energy: -2328.707 where: short stacking energy: -907.815 Base-Backbone interact. energy: 2.016 local terms energy: -865.762348 where: bonds (distance) C4'-P energy: -145.731 bonds (distance) P-C4' energy: -169.533 flat angles C4'-P-C4' energy: -195.347 flat angles P-C4'-P energy: -104.809 tors. eta vs tors. theta energy: -250.342 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: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -3015.055507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.055507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.055507 (E_RNA) where: Base-Base interactions energy: -2133.125 where: short stacking energy: -832.879 Base-Backbone interact. energy: -2.302 local terms energy: -879.628765 where: bonds (distance) C4'-P energy: -157.775 bonds (distance) P-C4' energy: -165.796 flat angles C4'-P-C4' energy: -190.512 flat angles P-C4'-P energy: -122.573 tors. eta vs tors. theta energy: -242.973 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: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -2936.474342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.474342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.474342 (E_RNA) where: Base-Base interactions energy: -2111.213 where: short stacking energy: -820.584 Base-Backbone interact. energy: -1.582 local terms energy: -823.678972 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -161.021 flat angles C4'-P-C4' energy: -178.708 flat angles P-C4'-P energy: -104.592 tors. eta vs tors. theta energy: -235.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -2652.517281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.517281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.517281 (E_RNA) where: Base-Base interactions energy: -1880.601 where: short stacking energy: -744.790 Base-Backbone interact. energy: -0.140 local terms energy: -771.776276 where: bonds (distance) C4'-P energy: -145.883 bonds (distance) P-C4' energy: -141.145 flat angles C4'-P-C4' energy: -169.414 flat angles P-C4'-P energy: -114.514 tors. eta vs tors. theta energy: -200.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1964.868572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.868572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.868572 (E_RNA) where: Base-Base interactions energy: -1325.939 where: short stacking energy: -540.540 Base-Backbone interact. energy: 1.456 local terms energy: -640.385527 where: bonds (distance) C4'-P energy: -128.578 bonds (distance) P-C4' energy: -145.817 flat angles C4'-P-C4' energy: -167.205 flat angles P-C4'-P energy: -73.821 tors. eta vs tors. theta energy: -124.965 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: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3737.164525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3737.164525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3737.164525 (E_RNA) where: Base-Base interactions energy: -2702.719 where: short stacking energy: -1081.774 Base-Backbone interact. energy: 3.281 local terms energy: -1037.727203 where: bonds (distance) C4'-P energy: -171.075 bonds (distance) P-C4' energy: -180.736 flat angles C4'-P-C4' energy: -224.294 flat angles P-C4'-P energy: -153.588 tors. eta vs tors. theta energy: -308.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -3624.350516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3624.350516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3624.350516 (E_RNA) where: Base-Base interactions energy: -2637.355 where: short stacking energy: -1023.333 Base-Backbone interact. energy: -1.399 local terms energy: -985.596932 where: bonds (distance) C4'-P energy: -174.565 bonds (distance) P-C4' energy: -183.298 flat angles C4'-P-C4' energy: -213.074 flat angles P-C4'-P energy: -139.759 tors. eta vs tors. theta energy: -274.899 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: 2 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -3457.097798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.097798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.097798 (E_RNA) where: Base-Base interactions energy: -2499.375 where: short stacking energy: -963.821 Base-Backbone interact. energy: -2.019 local terms energy: -955.703182 where: bonds (distance) C4'-P energy: -164.575 bonds (distance) P-C4' energy: -172.797 flat angles C4'-P-C4' energy: -206.318 flat angles P-C4'-P energy: -140.261 tors. eta vs tors. theta energy: -271.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -3345.112645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.112645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.112645 (E_RNA) where: Base-Base interactions energy: -2386.662 where: short stacking energy: -951.960 Base-Backbone interact. energy: 0.139 local terms energy: -958.589452 where: bonds (distance) C4'-P energy: -156.482 bonds (distance) P-C4' energy: -169.321 flat angles C4'-P-C4' energy: -201.104 flat angles P-C4'-P energy: -149.682 tors. eta vs tors. theta energy: -282.000 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: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -3331.461387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3331.461387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3331.461387 (E_RNA) where: Base-Base interactions energy: -2396.582 where: short stacking energy: -953.911 Base-Backbone interact. energy: 0.145 local terms energy: -935.024112 where: bonds (distance) C4'-P energy: -162.079 bonds (distance) P-C4' energy: -185.825 flat angles C4'-P-C4' energy: -193.522 flat angles P-C4'-P energy: -126.499 tors. eta vs tors. theta energy: -267.099 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: 128 Temperature: 1.150000 Total energy: -3163.279990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.279990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.279990 (E_RNA) where: Base-Base interactions energy: -2269.293 where: short stacking energy: -897.499 Base-Backbone interact. energy: -3.188 local terms energy: -890.798677 where: bonds (distance) C4'-P energy: -166.297 bonds (distance) P-C4' energy: -155.437 flat angles C4'-P-C4' energy: -180.510 flat angles P-C4'-P energy: -130.088 tors. eta vs tors. theta energy: -258.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -3004.003852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.003852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.003852 (E_RNA) where: Base-Base interactions energy: -2160.613 where: short stacking energy: -849.982 Base-Backbone interact. energy: -3.052 local terms energy: -840.339474 where: bonds (distance) C4'-P energy: -139.131 bonds (distance) P-C4' energy: -143.198 flat angles C4'-P-C4' energy: -180.989 flat angles P-C4'-P energy: -132.973 tors. eta vs tors. theta energy: -244.050 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: 9 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -2940.757619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.757619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.757619 (E_RNA) where: Base-Base interactions energy: -2086.817 where: short stacking energy: -811.558 Base-Backbone interact. energy: -0.899 local terms energy: -853.041371 where: bonds (distance) C4'-P energy: -148.821 bonds (distance) P-C4' energy: -165.517 flat angles C4'-P-C4' energy: -175.637 flat angles P-C4'-P energy: -125.849 tors. eta vs tors. theta energy: -237.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -2673.198252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.198252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.198252 (E_RNA) where: Base-Base interactions energy: -1935.373 where: short stacking energy: -754.200 Base-Backbone interact. energy: 5.572 local terms energy: -743.397499 where: bonds (distance) C4'-P energy: -126.270 bonds (distance) P-C4' energy: -139.427 flat angles C4'-P-C4' energy: -169.808 flat angles P-C4'-P energy: -94.725 tors. eta vs tors. theta energy: -213.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1935.348390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.348390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.348390 (E_RNA) where: Base-Base interactions energy: -1280.463 where: short stacking energy: -540.566 Base-Backbone interact. energy: 0.858 local terms energy: -655.743373 where: bonds (distance) C4'-P energy: -151.803 bonds (distance) P-C4' energy: -143.772 flat angles C4'-P-C4' energy: -146.703 flat angles P-C4'-P energy: -110.281 tors. eta vs tors. theta energy: -103.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3725.998271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3725.998271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3725.998271 (E_RNA) where: Base-Base interactions energy: -2679.812 where: short stacking energy: -1065.801 Base-Backbone interact. energy: -3.177 local terms energy: -1043.009286 where: bonds (distance) C4'-P energy: -188.120 bonds (distance) P-C4' energy: -176.841 flat angles C4'-P-C4' energy: -223.368 flat angles P-C4'-P energy: -138.303 tors. eta vs tors. theta energy: -316.377 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: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -3641.494182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3641.494182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3641.494182 (E_RNA) where: Base-Base interactions energy: -2630.323 where: short stacking energy: -1015.021 Base-Backbone interact. energy: 0.813 local terms energy: -1011.983984 where: bonds (distance) C4'-P energy: -173.560 bonds (distance) P-C4' energy: -190.008 flat angles C4'-P-C4' energy: -208.211 flat angles P-C4'-P energy: -151.044 tors. eta vs tors. theta energy: -289.162 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: 2 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -3426.937602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3426.937602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3426.937602 (E_RNA) where: Base-Base interactions energy: -2478.910 where: short stacking energy: -946.531 Base-Backbone interact. energy: 1.604 local terms energy: -949.630883 where: bonds (distance) C4'-P energy: -173.950 bonds (distance) P-C4' energy: -171.538 flat angles C4'-P-C4' energy: -213.353 flat angles P-C4'-P energy: -122.347 tors. eta vs tors. theta energy: -268.443 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: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -3313.737651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.737651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.737651 (E_RNA) where: Base-Base interactions energy: -2367.656 where: short stacking energy: -930.176 Base-Backbone interact. energy: -1.115 local terms energy: -944.966465 where: bonds (distance) C4'-P energy: -166.355 bonds (distance) P-C4' energy: -169.965 flat angles C4'-P-C4' energy: -204.209 flat angles P-C4'-P energy: -134.383 tors. eta vs tors. theta energy: -270.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -3330.061555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.061555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.061555 (E_RNA) where: Base-Base interactions energy: -2404.738 where: short stacking energy: -942.601 Base-Backbone interact. energy: 0.528 local terms energy: -925.852007 where: bonds (distance) C4'-P energy: -161.879 bonds (distance) P-C4' energy: -173.234 flat angles C4'-P-C4' energy: -197.437 flat angles P-C4'-P energy: -130.285 tors. eta vs tors. theta energy: -263.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -3173.324262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.324262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.324262 (E_RNA) where: Base-Base interactions energy: -2298.734 where: short stacking energy: -889.763 Base-Backbone interact. energy: 0.355 local terms energy: -874.945896 where: bonds (distance) C4'-P energy: -148.875 bonds (distance) P-C4' energy: -161.048 flat angles C4'-P-C4' energy: -191.635 flat angles P-C4'-P energy: -122.822 tors. eta vs tors. theta energy: -250.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -3036.244331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.244331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.244331 (E_RNA) where: Base-Base interactions energy: -2151.822 where: short stacking energy: -835.744 Base-Backbone interact. energy: 0.241 local terms energy: -884.663246 where: bonds (distance) C4'-P energy: -173.796 bonds (distance) P-C4' energy: -158.814 flat angles C4'-P-C4' energy: -191.369 flat angles P-C4'-P energy: -126.432 tors. eta vs tors. theta energy: -234.252 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: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -2926.405119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.405119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.405119 (E_RNA) where: Base-Base interactions energy: -2124.929 where: short stacking energy: -858.411 Base-Backbone interact. energy: 0.749 local terms energy: -802.224908 where: bonds (distance) C4'-P energy: -132.146 bonds (distance) P-C4' energy: -140.361 flat angles C4'-P-C4' energy: -196.723 flat angles P-C4'-P energy: -99.172 tors. eta vs tors. theta energy: -233.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -2629.845075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.845075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.845075 (E_RNA) where: Base-Base interactions energy: -1887.581 where: short stacking energy: -726.257 Base-Backbone interact. energy: 5.111 local terms energy: -747.374815 where: bonds (distance) C4'-P energy: -139.420 bonds (distance) P-C4' energy: -155.364 flat angles C4'-P-C4' energy: -145.733 flat angles P-C4'-P energy: -116.287 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: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -2016.459196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.459196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.459196 (E_RNA) where: Base-Base interactions energy: -1349.222 where: short stacking energy: -582.199 Base-Backbone interact. energy: -3.159 local terms energy: -664.078064 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -143.919 flat angles C4'-P-C4' energy: -153.798 flat angles P-C4'-P energy: -111.560 tors. eta vs tors. theta energy: -131.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -3726.621995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3726.621995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3726.621995 (E_RNA) where: Base-Base interactions energy: -2687.241 where: short stacking energy: -1067.031 Base-Backbone interact. energy: -1.646 local terms energy: -1037.735211 where: bonds (distance) C4'-P energy: -172.986 bonds (distance) P-C4' energy: -184.618 flat angles C4'-P-C4' energy: -214.152 flat angles P-C4'-P energy: -155.549 tors. eta vs tors. theta energy: -310.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -3656.437660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.437660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.437660 (E_RNA) where: Base-Base interactions energy: -2633.099 where: short stacking energy: -1020.974 Base-Backbone interact. energy: 0.209 local terms energy: -1023.547791 where: bonds (distance) C4'-P energy: -198.301 bonds (distance) P-C4' energy: -171.271 flat angles C4'-P-C4' energy: -210.476 flat angles P-C4'-P energy: -156.190 tors. eta vs tors. theta energy: -287.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -3432.095078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3432.095078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3432.095078 (E_RNA) where: Base-Base interactions energy: -2447.840 where: short stacking energy: -941.077 Base-Backbone interact. energy: -0.417 local terms energy: -983.837227 where: bonds (distance) C4'-P energy: -182.962 bonds (distance) P-C4' energy: -172.086 flat angles C4'-P-C4' energy: -223.699 flat angles P-C4'-P energy: -138.124 tors. eta vs tors. theta energy: -266.966 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: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -3349.088138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3349.088138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3349.088138 (E_RNA) where: Base-Base interactions energy: -2443.574 where: short stacking energy: -965.509 Base-Backbone interact. energy: -0.822 local terms energy: -904.692401 where: bonds (distance) C4'-P energy: -172.226 bonds (distance) P-C4' energy: -138.933 flat angles C4'-P-C4' energy: -205.061 flat angles P-C4'-P energy: -111.620 tors. eta vs tors. theta energy: -276.853 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: 5, replica: 5 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -3304.548515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.548515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.548515 (E_RNA) where: Base-Base interactions energy: -2395.940 where: short stacking energy: -947.622 Base-Backbone interact. energy: 0.359 local terms energy: -908.968166 where: bonds (distance) C4'-P energy: -163.776 bonds (distance) P-C4' energy: -174.476 flat angles C4'-P-C4' energy: -186.677 flat angles P-C4'-P energy: -115.046 tors. eta vs tors. theta energy: -268.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -3166.095389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.095389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.095389 (E_RNA) where: Base-Base interactions energy: -2265.489 where: short stacking energy: -890.277 Base-Backbone interact. energy: -2.717 local terms energy: -897.888908 where: bonds (distance) C4'-P energy: -140.907 bonds (distance) P-C4' energy: -163.037 flat angles C4'-P-C4' energy: -207.485 flat angles P-C4'-P energy: -134.681 tors. eta vs tors. theta energy: -251.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2980.132562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.132562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.132562 (E_RNA) where: Base-Base interactions energy: -2133.326 where: short stacking energy: -829.577 Base-Backbone interact. energy: -1.343 local terms energy: -845.463332 where: bonds (distance) C4'-P energy: -146.734 bonds (distance) P-C4' energy: -171.071 flat angles C4'-P-C4' energy: -187.972 flat angles P-C4'-P energy: -112.419 tors. eta vs tors. theta energy: -227.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -2912.735408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.735408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.735408 (E_RNA) where: Base-Base interactions energy: -2053.098 where: short stacking energy: -801.651 Base-Backbone interact. energy: 3.461 local terms energy: -863.098376 where: bonds (distance) C4'-P energy: -162.832 bonds (distance) P-C4' energy: -175.477 flat angles C4'-P-C4' energy: -182.033 flat angles P-C4'-P energy: -109.841 tors. eta vs tors. theta energy: -232.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -2668.743576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.743576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.743576 (E_RNA) where: Base-Base interactions energy: -1911.744 where: short stacking energy: -749.822 Base-Backbone interact. energy: 8.016 local terms energy: -765.015429 where: bonds (distance) C4'-P energy: -155.706 bonds (distance) P-C4' energy: -148.556 flat angles C4'-P-C4' energy: -175.852 flat angles P-C4'-P energy: -106.259 tors. eta vs tors. theta energy: -178.643 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: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -2047.577210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.577210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.577210 (E_RNA) where: Base-Base interactions energy: -1408.682 where: short stacking energy: -565.064 Base-Backbone interact. energy: 8.399 local terms energy: -647.294668 where: bonds (distance) C4'-P energy: -127.582 bonds (distance) P-C4' energy: -161.849 flat angles C4'-P-C4' energy: -145.500 flat angles P-C4'-P energy: -95.408 tors. eta vs tors. theta energy: -116.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3731.373998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3731.373998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3731.373998 (E_RNA) where: Base-Base interactions energy: -2677.122 where: short stacking energy: -1068.669 Base-Backbone interact. energy: 1.599 local terms energy: -1055.850433 where: bonds (distance) C4'-P energy: -195.431 bonds (distance) P-C4' energy: -189.734 flat angles C4'-P-C4' energy: -212.486 flat angles P-C4'-P energy: -151.355 tors. eta vs tors. theta energy: -306.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -3633.274490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3633.274490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3633.274490 (E_RNA) where: Base-Base interactions energy: -2658.335 where: short stacking energy: -1009.631 Base-Backbone interact. energy: -1.243 local terms energy: -973.697243 where: bonds (distance) C4'-P energy: -167.353 bonds (distance) P-C4' energy: -184.030 flat angles C4'-P-C4' energy: -208.971 flat angles P-C4'-P energy: -126.688 tors. eta vs tors. theta energy: -286.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -3414.620426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.620426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.620426 (E_RNA) where: Base-Base interactions energy: -2463.931 where: short stacking energy: -952.441 Base-Backbone interact. energy: -2.870 local terms energy: -947.819341 where: bonds (distance) C4'-P energy: -169.269 bonds (distance) P-C4' energy: -164.186 flat angles C4'-P-C4' energy: -205.023 flat angles P-C4'-P energy: -137.241 tors. eta vs tors. theta energy: -272.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -3373.278840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3373.278840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3373.278840 (E_RNA) where: Base-Base interactions energy: -2427.778 where: short stacking energy: -944.072 Base-Backbone interact. energy: -5.013 local terms energy: -940.487694 where: bonds (distance) C4'-P energy: -165.885 bonds (distance) P-C4' energy: -165.596 flat angles C4'-P-C4' energy: -207.212 flat angles P-C4'-P energy: -135.352 tors. eta vs tors. theta energy: -266.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -3272.143935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.143935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.143935 (E_RNA) where: Base-Base interactions energy: -2338.844 where: short stacking energy: -908.802 Base-Backbone interact. energy: -2.026 local terms energy: -931.273808 where: bonds (distance) C4'-P energy: -148.591 bonds (distance) P-C4' energy: -183.078 flat angles C4'-P-C4' energy: -205.264 flat angles P-C4'-P energy: -130.261 tors. eta vs tors. theta energy: -264.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -3188.417608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.417608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.417608 (E_RNA) where: Base-Base interactions energy: -2289.598 where: short stacking energy: -889.769 Base-Backbone interact. energy: 3.564 local terms energy: -902.383355 where: bonds (distance) C4'-P energy: -171.450 bonds (distance) P-C4' energy: -146.805 flat angles C4'-P-C4' energy: -196.561 flat angles P-C4'-P energy: -130.618 tors. eta vs tors. theta energy: -256.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -3041.432596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.432596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.432596 (E_RNA) where: Base-Base interactions energy: -2144.336 where: short stacking energy: -859.995 Base-Backbone interact. energy: -0.461 local terms energy: -896.635017 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -145.615 flat angles C4'-P-C4' energy: -208.102 flat angles P-C4'-P energy: -140.765 tors. eta vs tors. theta energy: -247.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -2965.288059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.288059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.288059 (E_RNA) where: Base-Base interactions energy: -2087.197 where: short stacking energy: -826.198 Base-Backbone interact. energy: 4.160 local terms energy: -882.251248 where: bonds (distance) C4'-P energy: -152.082 bonds (distance) P-C4' energy: -178.938 flat angles C4'-P-C4' energy: -181.628 flat angles P-C4'-P energy: -122.036 tors. eta vs tors. theta energy: -247.567 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: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -2706.324675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.324675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.324675 (E_RNA) where: Base-Base interactions energy: -1907.929 where: short stacking energy: -760.527 Base-Backbone interact. energy: 1.957 local terms energy: -800.352481 where: bonds (distance) C4'-P energy: -138.116 bonds (distance) P-C4' energy: -166.884 flat angles C4'-P-C4' energy: -179.031 flat angles P-C4'-P energy: -113.217 tors. eta vs tors. theta energy: -203.105 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: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -2092.824126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.824126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.824126 (E_RNA) where: Base-Base interactions energy: -1423.096 where: short stacking energy: -578.210 Base-Backbone interact. energy: -0.217 local terms energy: -669.511703 where: bonds (distance) C4'-P energy: -124.046 bonds (distance) P-C4' energy: -149.888 flat angles C4'-P-C4' energy: -170.050 flat angles P-C4'-P energy: -85.257 tors. eta vs tors. theta energy: -140.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3751.249786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3751.249786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3751.249786 (E_RNA) where: Base-Base interactions energy: -2681.947 where: short stacking energy: -1065.708 Base-Backbone interact. energy: -0.538 local terms energy: -1068.765070 where: bonds (distance) C4'-P energy: -195.891 bonds (distance) P-C4' energy: -202.448 flat angles C4'-P-C4' energy: -217.469 flat angles P-C4'-P energy: -135.898 tors. eta vs tors. theta energy: -317.061 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: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -3651.750253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3651.750253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3651.750253 (E_RNA) where: Base-Base interactions energy: -2636.592 where: short stacking energy: -1025.492 Base-Backbone interact. energy: -0.171 local terms energy: -1014.987528 where: bonds (distance) C4'-P energy: -198.162 bonds (distance) P-C4' energy: -166.430 flat angles C4'-P-C4' energy: -217.442 flat angles P-C4'-P energy: -144.821 tors. eta vs tors. theta energy: -288.133 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: 2 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -3413.315174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3413.315174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3413.315174 (E_RNA) where: Base-Base interactions energy: -2498.802 where: short stacking energy: -976.816 Base-Backbone interact. energy: -2.163 local terms energy: -912.350025 where: bonds (distance) C4'-P energy: -154.381 bonds (distance) P-C4' energy: -168.918 flat angles C4'-P-C4' energy: -201.244 flat angles P-C4'-P energy: -117.349 tors. eta vs tors. theta energy: -270.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -3405.329013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.329013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.329013 (E_RNA) where: Base-Base interactions energy: -2444.644 where: short stacking energy: -966.163 Base-Backbone interact. energy: -3.122 local terms energy: -957.562991 where: bonds (distance) C4'-P energy: -144.234 bonds (distance) P-C4' energy: -195.785 flat angles C4'-P-C4' energy: -205.581 flat angles P-C4'-P energy: -138.965 tors. eta vs tors. theta energy: -272.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -3240.380636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.380636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.380636 (E_RNA) where: Base-Base interactions energy: -2347.172 where: short stacking energy: -918.820 Base-Backbone interact. energy: -2.594 local terms energy: -890.614976 where: bonds (distance) C4'-P energy: -167.561 bonds (distance) P-C4' energy: -147.343 flat angles C4'-P-C4' energy: -196.320 flat angles P-C4'-P energy: -131.638 tors. eta vs tors. theta energy: -247.752 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: 132 Temperature: 1.150000 Total energy: -3238.113199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.113199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.113199 (E_RNA) where: Base-Base interactions energy: -2321.407 where: short stacking energy: -905.644 Base-Backbone interact. energy: -2.820 local terms energy: -913.886106 where: bonds (distance) C4'-P energy: -160.925 bonds (distance) P-C4' energy: -162.186 flat angles C4'-P-C4' energy: -190.885 flat angles P-C4'-P energy: -127.806 tors. eta vs tors. theta energy: -272.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -3020.488164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.488164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.488164 (E_RNA) where: Base-Base interactions energy: -2140.551 where: short stacking energy: -853.105 Base-Backbone interact. energy: -2.491 local terms energy: -877.446567 where: bonds (distance) C4'-P energy: -148.944 bonds (distance) P-C4' energy: -154.937 flat angles C4'-P-C4' energy: -195.544 flat angles P-C4'-P energy: -138.694 tors. eta vs tors. theta energy: -239.326 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: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -2956.215607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.215607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.215607 (E_RNA) where: Base-Base interactions energy: -2108.801 where: short stacking energy: -861.205 Base-Backbone interact. energy: 0.636 local terms energy: -848.050423 where: bonds (distance) C4'-P energy: -148.070 bonds (distance) P-C4' energy: -162.711 flat angles C4'-P-C4' energy: -176.955 flat angles P-C4'-P energy: -133.718 tors. eta vs tors. theta energy: -226.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -2650.248972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.248972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.248972 (E_RNA) where: Base-Base interactions energy: -1891.901 where: short stacking energy: -710.166 Base-Backbone interact. energy: 1.630 local terms energy: -759.977783 where: bonds (distance) C4'-P energy: -140.978 bonds (distance) P-C4' energy: -146.307 flat angles C4'-P-C4' energy: -173.439 flat angles P-C4'-P energy: -107.229 tors. eta vs tors. theta energy: -192.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -2081.830346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.830346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.830346 (E_RNA) where: Base-Base interactions energy: -1425.009 where: short stacking energy: -581.294 Base-Backbone interact. energy: 2.364 local terms energy: -659.185364 where: bonds (distance) C4'-P energy: -148.342 bonds (distance) P-C4' energy: -123.765 flat angles C4'-P-C4' energy: -161.842 flat angles P-C4'-P energy: -94.690 tors. eta vs tors. theta energy: -130.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3726.425340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3726.425340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3726.425340 (E_RNA) where: Base-Base interactions energy: -2696.157 where: short stacking energy: -1078.236 Base-Backbone interact. energy: 0.853 local terms energy: -1031.121607 where: bonds (distance) C4'-P energy: -185.955 bonds (distance) P-C4' energy: -177.079 flat angles C4'-P-C4' energy: -210.706 flat angles P-C4'-P energy: -156.864 tors. eta vs tors. theta energy: -300.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -3623.618925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3623.618925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3623.618925 (E_RNA) where: Base-Base interactions energy: -2607.060 where: short stacking energy: -1011.538 Base-Backbone interact. energy: -2.153 local terms energy: -1014.406090 where: bonds (distance) C4'-P energy: -181.516 bonds (distance) P-C4' energy: -184.606 flat angles C4'-P-C4' energy: -209.202 flat angles P-C4'-P energy: -154.705 tors. eta vs tors. theta energy: -284.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -3438.958356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3438.958356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3438.958356 (E_RNA) where: Base-Base interactions energy: -2483.815 where: short stacking energy: -953.311 Base-Backbone interact. energy: -2.330 local terms energy: -952.813120 where: bonds (distance) C4'-P energy: -165.555 bonds (distance) P-C4' energy: -166.984 flat angles C4'-P-C4' energy: -205.615 flat angles P-C4'-P energy: -142.909 tors. eta vs tors. theta energy: -271.751 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: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -3301.315347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.315347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.315347 (E_RNA) where: Base-Base interactions energy: -2391.036 where: short stacking energy: -926.417 Base-Backbone interact. energy: 2.724 local terms energy: -913.004124 where: bonds (distance) C4'-P energy: -155.345 bonds (distance) P-C4' energy: -166.487 flat angles C4'-P-C4' energy: -202.389 flat angles P-C4'-P energy: -125.169 tors. eta vs tors. theta energy: -263.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -3347.859794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.859794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.859794 (E_RNA) where: Base-Base interactions energy: -2414.471 where: short stacking energy: -936.854 Base-Backbone interact. energy: -0.226 local terms energy: -933.162853 where: bonds (distance) C4'-P energy: -164.954 bonds (distance) P-C4' energy: -172.294 flat angles C4'-P-C4' energy: -200.962 flat angles P-C4'-P energy: -125.917 tors. eta vs tors. theta energy: -269.036 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: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -3197.588809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.588809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.588809 (E_RNA) where: Base-Base interactions energy: -2315.759 where: short stacking energy: -902.754 Base-Backbone interact. energy: -0.882 local terms energy: -880.948208 where: bonds (distance) C4'-P energy: -164.833 bonds (distance) P-C4' energy: -168.447 flat angles C4'-P-C4' energy: -189.457 flat angles P-C4'-P energy: -103.042 tors. eta vs tors. theta energy: -255.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -3046.813842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.813842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.813842 (E_RNA) where: Base-Base interactions energy: -2180.787 where: short stacking energy: -868.612 Base-Backbone interact. energy: -1.960 local terms energy: -864.066716 where: bonds (distance) C4'-P energy: -164.449 bonds (distance) P-C4' energy: -161.043 flat angles C4'-P-C4' energy: -168.999 flat angles P-C4'-P energy: -121.400 tors. eta vs tors. theta energy: -248.175 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: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -2965.260477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.260477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.260477 (E_RNA) where: Base-Base interactions energy: -2128.714 where: short stacking energy: -841.628 Base-Backbone interact. energy: -2.654 local terms energy: -833.892251 where: bonds (distance) C4'-P energy: -141.187 bonds (distance) P-C4' energy: -133.107 flat angles C4'-P-C4' energy: -195.089 flat angles P-C4'-P energy: -116.792 tors. eta vs tors. theta energy: -247.717 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: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -2636.849843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.849843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.849843 (E_RNA) where: Base-Base interactions energy: -1883.611 where: short stacking energy: -730.150 Base-Backbone interact. energy: -1.999 local terms energy: -751.240637 where: bonds (distance) C4'-P energy: -159.610 bonds (distance) P-C4' energy: -129.592 flat angles C4'-P-C4' energy: -178.983 flat angles P-C4'-P energy: -91.548 tors. eta vs tors. theta energy: -191.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -2209.293451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.293451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.293451 (E_RNA) where: Base-Base interactions energy: -1528.536 where: short stacking energy: -631.142 Base-Backbone interact. energy: 5.731 local terms energy: -686.487937 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -135.534 flat angles C4'-P-C4' energy: -177.190 flat angles P-C4'-P energy: -90.295 tors. eta vs tors. theta energy: -160.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3732.429046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3732.429046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3732.429046 (E_RNA) where: Base-Base interactions energy: -2687.206 where: short stacking energy: -1039.466 Base-Backbone interact. energy: -2.977 local terms energy: -1042.246497 where: bonds (distance) C4'-P energy: -194.086 bonds (distance) P-C4' energy: -167.178 flat angles C4'-P-C4' energy: -226.605 flat angles P-C4'-P energy: -154.463 tors. eta vs tors. theta energy: -299.914 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: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -3620.944639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3620.944639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3620.944639 (E_RNA) where: Base-Base interactions energy: -2604.522 where: short stacking energy: -1018.196 Base-Backbone interact. energy: -3.397 local terms energy: -1013.025356 where: bonds (distance) C4'-P energy: -181.987 bonds (distance) P-C4' energy: -186.578 flat angles C4'-P-C4' energy: -220.488 flat angles P-C4'-P energy: -131.433 tors. eta vs tors. theta energy: -292.538 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: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -3414.434697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.434697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.434697 (E_RNA) where: Base-Base interactions energy: -2449.343 where: short stacking energy: -957.453 Base-Backbone interact. energy: -0.167 local terms energy: -964.924737 where: bonds (distance) C4'-P energy: -174.872 bonds (distance) P-C4' energy: -172.161 flat angles C4'-P-C4' energy: -206.308 flat angles P-C4'-P energy: -139.440 tors. eta vs tors. theta energy: -272.144 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: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -3371.378997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3371.378997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3371.378997 (E_RNA) where: Base-Base interactions energy: -2437.977 where: short stacking energy: -959.324 Base-Backbone interact. energy: 3.267 local terms energy: -936.669365 where: bonds (distance) C4'-P energy: -163.790 bonds (distance) P-C4' energy: -167.514 flat angles C4'-P-C4' energy: -197.916 flat angles P-C4'-P energy: -145.905 tors. eta vs tors. theta energy: -261.544 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: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -3333.718111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3333.718111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3333.718111 (E_RNA) where: Base-Base interactions energy: -2384.721 where: short stacking energy: -947.190 Base-Backbone interact. energy: -4.493 local terms energy: -944.503785 where: bonds (distance) C4'-P energy: -152.580 bonds (distance) P-C4' energy: -176.774 flat angles C4'-P-C4' energy: -201.848 flat angles P-C4'-P energy: -138.318 tors. eta vs tors. theta energy: -274.982 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: 134 Temperature: 1.150000 Total energy: -3279.837577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.837577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.837577 (E_RNA) where: Base-Base interactions energy: -2379.398 where: short stacking energy: -957.312 Base-Backbone interact. energy: -0.042 local terms energy: -900.397577 where: bonds (distance) C4'-P energy: -144.070 bonds (distance) P-C4' energy: -158.342 flat angles C4'-P-C4' energy: -193.551 flat angles P-C4'-P energy: -130.893 tors. eta vs tors. theta energy: -273.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -3065.477685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.477685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.477685 (E_RNA) where: Base-Base interactions energy: -2163.468 where: short stacking energy: -840.284 Base-Backbone interact. energy: 1.097 local terms energy: -903.107156 where: bonds (distance) C4'-P energy: -172.493 bonds (distance) P-C4' energy: -158.981 flat angles C4'-P-C4' energy: -187.469 flat angles P-C4'-P energy: -134.125 tors. eta vs tors. theta energy: -250.040 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: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -2994.718322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.718322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.718322 (E_RNA) where: Base-Base interactions energy: -2136.589 where: short stacking energy: -828.188 Base-Backbone interact. energy: 1.914 local terms energy: -860.043064 where: bonds (distance) C4'-P energy: -152.094 bonds (distance) P-C4' energy: -166.090 flat angles C4'-P-C4' energy: -186.638 flat angles P-C4'-P energy: -113.762 tors. eta vs tors. theta energy: -241.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -2684.200976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.200976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.200976 (E_RNA) where: Base-Base interactions energy: -1932.951 where: short stacking energy: -743.357 Base-Backbone interact. energy: -0.433 local terms energy: -750.816560 where: bonds (distance) C4'-P energy: -133.476 bonds (distance) P-C4' energy: -121.069 flat angles C4'-P-C4' energy: -171.143 flat angles P-C4'-P energy: -124.950 tors. eta vs tors. theta energy: -200.178 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: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -2161.193650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.193650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.193650 (E_RNA) where: Base-Base interactions energy: -1518.138 where: short stacking energy: -605.841 Base-Backbone interact. energy: 1.856 local terms energy: -644.911651 where: bonds (distance) C4'-P energy: -132.615 bonds (distance) P-C4' energy: -133.327 flat angles C4'-P-C4' energy: -152.280 flat angles P-C4'-P energy: -94.846 tors. eta vs tors. theta energy: -131.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3735.952304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3735.952304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3735.952304 (E_RNA) where: Base-Base interactions energy: -2708.700 where: short stacking energy: -1053.506 Base-Backbone interact. energy: -2.688 local terms energy: -1024.564618 where: bonds (distance) C4'-P energy: -163.851 bonds (distance) P-C4' energy: -190.295 flat angles C4'-P-C4' energy: -220.655 flat angles P-C4'-P energy: -143.174 tors. eta vs tors. theta energy: -306.590 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: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -3597.883952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.883952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.883952 (E_RNA) where: Base-Base interactions energy: -2599.212 where: short stacking energy: -1020.705 Base-Backbone interact. energy: 1.056 local terms energy: -999.728124 where: bonds (distance) C4'-P energy: -172.866 bonds (distance) P-C4' energy: -164.916 flat angles C4'-P-C4' energy: -219.540 flat angles P-C4'-P energy: -150.484 tors. eta vs tors. theta energy: -291.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -3425.751373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3425.751373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3425.751373 (E_RNA) where: Base-Base interactions energy: -2464.327 where: short stacking energy: -945.186 Base-Backbone interact. energy: -0.880 local terms energy: -960.544090 where: bonds (distance) C4'-P energy: -178.693 bonds (distance) P-C4' energy: -174.485 flat angles C4'-P-C4' energy: -208.135 flat angles P-C4'-P energy: -132.665 tors. eta vs tors. theta energy: -266.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -3414.148337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.148337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.148337 (E_RNA) where: Base-Base interactions energy: -2483.323 where: short stacking energy: -983.018 Base-Backbone interact. energy: -2.563 local terms energy: -928.261865 where: bonds (distance) C4'-P energy: -169.041 bonds (distance) P-C4' energy: -149.936 flat angles C4'-P-C4' energy: -202.010 flat angles P-C4'-P energy: -134.861 tors. eta vs tors. theta energy: -272.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -3323.593188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.593188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.593188 (E_RNA) where: Base-Base interactions energy: -2417.453 where: short stacking energy: -944.482 Base-Backbone interact. energy: 2.624 local terms energy: -908.763389 where: bonds (distance) C4'-P energy: -152.672 bonds (distance) P-C4' energy: -154.456 flat angles C4'-P-C4' energy: -199.097 flat angles P-C4'-P energy: -125.903 tors. eta vs tors. theta energy: -276.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -3295.118673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3295.118673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3295.118673 (E_RNA) where: Base-Base interactions energy: -2375.394 where: short stacking energy: -930.037 Base-Backbone interact. energy: -1.990 local terms energy: -917.734178 where: bonds (distance) C4'-P energy: -162.153 bonds (distance) P-C4' energy: -172.627 flat angles C4'-P-C4' energy: -199.371 flat angles P-C4'-P energy: -111.627 tors. eta vs tors. theta energy: -271.957 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: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -3026.620863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.620863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.620863 (E_RNA) where: Base-Base interactions energy: -2176.997 where: short stacking energy: -878.943 Base-Backbone interact. energy: -0.377 local terms energy: -849.246569 where: bonds (distance) C4'-P energy: -145.622 bonds (distance) P-C4' energy: -141.486 flat angles C4'-P-C4' energy: -197.944 flat angles P-C4'-P energy: -119.291 tors. eta vs tors. theta energy: -244.903 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: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -2939.576436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.576436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.576436 (E_RNA) where: Base-Base interactions energy: -2070.123 where: short stacking energy: -799.349 Base-Backbone interact. energy: -0.249 local terms energy: -869.204940 where: bonds (distance) C4'-P energy: -151.440 bonds (distance) P-C4' energy: -183.184 flat angles C4'-P-C4' energy: -190.904 flat angles P-C4'-P energy: -120.165 tors. eta vs tors. theta energy: -223.511 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: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -2766.632400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.632400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.632400 (E_RNA) where: Base-Base interactions energy: -1988.067 where: short stacking energy: -780.418 Base-Backbone interact. energy: 5.915 local terms energy: -784.480406 where: bonds (distance) C4'-P energy: -156.080 bonds (distance) P-C4' energy: -139.119 flat angles C4'-P-C4' energy: -170.942 flat angles P-C4'-P energy: -110.184 tors. eta vs tors. theta energy: -208.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -2240.187426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.187426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.187426 (E_RNA) where: Base-Base interactions energy: -1561.253 where: short stacking energy: -620.711 Base-Backbone interact. energy: -0.394 local terms energy: -678.540506 where: bonds (distance) C4'-P energy: -126.499 bonds (distance) P-C4' energy: -153.472 flat angles C4'-P-C4' energy: -159.500 flat angles P-C4'-P energy: -82.012 tors. eta vs tors. theta energy: -157.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -3767.926110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3767.926110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3767.926110 (E_RNA) where: Base-Base interactions energy: -2733.478 where: short stacking energy: -1085.380 Base-Backbone interact. energy: -0.588 local terms energy: -1033.860475 where: bonds (distance) C4'-P energy: -194.705 bonds (distance) P-C4' energy: -177.425 flat angles C4'-P-C4' energy: -212.732 flat angles P-C4'-P energy: -149.319 tors. eta vs tors. theta energy: -299.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -3634.425200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3634.425200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3634.425200 (E_RNA) where: Base-Base interactions energy: -2629.448 where: short stacking energy: -1035.553 Base-Backbone interact. energy: -2.506 local terms energy: -1002.471839 where: bonds (distance) C4'-P energy: -181.571 bonds (distance) P-C4' energy: -180.714 flat angles C4'-P-C4' energy: -212.034 flat angles P-C4'-P energy: -140.007 tors. eta vs tors. theta energy: -288.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -3442.699947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3442.699947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3442.699947 (E_RNA) where: Base-Base interactions energy: -2514.244 where: short stacking energy: -982.546 Base-Backbone interact. energy: -2.721 local terms energy: -925.734807 where: bonds (distance) C4'-P energy: -168.693 bonds (distance) P-C4' energy: -155.826 flat angles C4'-P-C4' energy: -199.702 flat angles P-C4'-P energy: -131.356 tors. eta vs tors. theta energy: -270.159 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: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -3306.127944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3306.127944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3306.127944 (E_RNA) where: Base-Base interactions energy: -2373.729 where: short stacking energy: -930.111 Base-Backbone interact. energy: 2.023 local terms energy: -934.421796 where: bonds (distance) C4'-P energy: -162.263 bonds (distance) P-C4' energy: -177.560 flat angles C4'-P-C4' energy: -203.364 flat angles P-C4'-P energy: -135.316 tors. eta vs tors. theta energy: -255.919 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: 5 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -3341.224588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3341.224588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3341.224588 (E_RNA) where: Base-Base interactions energy: -2415.321 where: short stacking energy: -952.627 Base-Backbone interact. energy: -3.521 local terms energy: -922.382543 where: bonds (distance) C4'-P energy: -157.678 bonds (distance) P-C4' energy: -164.368 flat angles C4'-P-C4' energy: -205.874 flat angles P-C4'-P energy: -120.204 tors. eta vs tors. theta energy: -274.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -3280.763919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.763919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.763919 (E_RNA) where: Base-Base interactions energy: -2362.447 where: short stacking energy: -916.211 Base-Backbone interact. energy: 2.338 local terms energy: -920.655471 where: bonds (distance) C4'-P energy: -162.666 bonds (distance) P-C4' energy: -154.528 flat angles C4'-P-C4' energy: -195.072 flat angles P-C4'-P energy: -134.389 tors. eta vs tors. theta energy: -274.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -3027.136311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.136311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.136311 (E_RNA) where: Base-Base interactions energy: -2136.283 where: short stacking energy: -851.916 Base-Backbone interact. energy: -0.111 local terms energy: -890.741922 where: bonds (distance) C4'-P energy: -162.306 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -189.319 flat angles P-C4'-P energy: -123.573 tors. eta vs tors. theta energy: -261.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -2909.581241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.581241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.581241 (E_RNA) where: Base-Base interactions energy: -2093.897 where: short stacking energy: -812.550 Base-Backbone interact. energy: 0.848 local terms energy: -816.531910 where: bonds (distance) C4'-P energy: -155.498 bonds (distance) P-C4' energy: -153.144 flat angles C4'-P-C4' energy: -151.728 flat angles P-C4'-P energy: -131.512 tors. eta vs tors. theta energy: -224.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -2749.912276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.912276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.912276 (E_RNA) where: Base-Base interactions energy: -1965.188 where: short stacking energy: -746.927 Base-Backbone interact. energy: -0.576 local terms energy: -784.148010 where: bonds (distance) C4'-P energy: -162.674 bonds (distance) P-C4' energy: -160.490 flat angles C4'-P-C4' energy: -152.814 flat angles P-C4'-P energy: -107.183 tors. eta vs tors. theta energy: -200.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -2314.471341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.471341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.471341 (E_RNA) where: Base-Base interactions energy: -1636.062 where: short stacking energy: -666.360 Base-Backbone interact. energy: -0.045 local terms energy: -678.364246 where: bonds (distance) C4'-P energy: -132.743 bonds (distance) P-C4' energy: -148.315 flat angles C4'-P-C4' energy: -156.990 flat angles P-C4'-P energy: -81.353 tors. eta vs tors. theta energy: -158.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3740.015814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3740.015814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3740.015814 (E_RNA) where: Base-Base interactions energy: -2704.452 where: short stacking energy: -1053.286 Base-Backbone interact. energy: -2.203 local terms energy: -1033.359969 where: bonds (distance) C4'-P energy: -188.899 bonds (distance) P-C4' energy: -181.914 flat angles C4'-P-C4' energy: -215.277 flat angles P-C4'-P energy: -143.883 tors. eta vs tors. theta energy: -303.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -3617.379467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3617.379467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3617.379467 (E_RNA) where: Base-Base interactions energy: -2634.568 where: short stacking energy: -1025.711 Base-Backbone interact. energy: 2.745 local terms energy: -985.556503 where: bonds (distance) C4'-P energy: -164.800 bonds (distance) P-C4' energy: -175.162 flat angles C4'-P-C4' energy: -205.392 flat angles P-C4'-P energy: -149.533 tors. eta vs tors. theta energy: -290.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -3482.140530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.140530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.140530 (E_RNA) where: Base-Base interactions energy: -2507.071 where: short stacking energy: -974.827 Base-Backbone interact. energy: -1.958 local terms energy: -973.111571 where: bonds (distance) C4'-P energy: -173.582 bonds (distance) P-C4' energy: -184.347 flat angles C4'-P-C4' energy: -208.113 flat angles P-C4'-P energy: -123.847 tors. eta vs tors. theta energy: -283.222 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: 137 Temperature: 1.050000 Total energy: -3436.419102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3436.419102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3436.419102 (E_RNA) where: Base-Base interactions energy: -2459.379 where: short stacking energy: -967.891 Base-Backbone interact. energy: -2.017 local terms energy: -975.022947 where: bonds (distance) C4'-P energy: -180.823 bonds (distance) P-C4' energy: -163.652 flat angles C4'-P-C4' energy: -202.169 flat angles P-C4'-P energy: -143.445 tors. eta vs tors. theta energy: -284.935 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: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -3289.279435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.279435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.279435 (E_RNA) where: Base-Base interactions energy: -2365.408 where: short stacking energy: -890.351 Base-Backbone interact. energy: -6.151 local terms energy: -917.720362 where: bonds (distance) C4'-P energy: -169.781 bonds (distance) P-C4' energy: -160.969 flat angles C4'-P-C4' energy: -199.441 flat angles P-C4'-P energy: -134.389 tors. eta vs tors. theta energy: -253.139 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: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -3303.301750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.301750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.301750 (E_RNA) where: Base-Base interactions energy: -2360.017 where: short stacking energy: -915.711 Base-Backbone interact. energy: -1.618 local terms energy: -941.666089 where: bonds (distance) C4'-P energy: -153.255 bonds (distance) P-C4' energy: -161.504 flat angles C4'-P-C4' energy: -207.809 flat angles P-C4'-P energy: -143.214 tors. eta vs tors. theta energy: -275.884 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: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -3045.837243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.837243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.837243 (E_RNA) where: Base-Base interactions energy: -2169.159 where: short stacking energy: -855.715 Base-Backbone interact. energy: -2.393 local terms energy: -874.284955 where: bonds (distance) C4'-P energy: -143.764 bonds (distance) P-C4' energy: -154.974 flat angles C4'-P-C4' energy: -195.540 flat angles P-C4'-P energy: -128.425 tors. eta vs tors. theta energy: -251.582 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: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -2976.324036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.324036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.324036 (E_RNA) where: Base-Base interactions energy: -2110.558 where: short stacking energy: -848.171 Base-Backbone interact. energy: -1.153 local terms energy: -864.612311 where: bonds (distance) C4'-P energy: -146.600 bonds (distance) P-C4' energy: -165.140 flat angles C4'-P-C4' energy: -187.624 flat angles P-C4'-P energy: -124.793 tors. eta vs tors. theta energy: -240.454 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: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -2750.881476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.881476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.881476 (E_RNA) where: Base-Base interactions energy: -1970.676 where: short stacking energy: -774.127 Base-Backbone interact. energy: -3.271 local terms energy: -776.934413 where: bonds (distance) C4'-P energy: -153.854 bonds (distance) P-C4' energy: -138.171 flat angles C4'-P-C4' energy: -185.912 flat angles P-C4'-P energy: -89.787 tors. eta vs tors. theta energy: -209.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -2485.766227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.766227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.766227 (E_RNA) where: Base-Base interactions energy: -1723.699 where: short stacking energy: -692.324 Base-Backbone interact. energy: -0.969 local terms energy: -761.098565 where: bonds (distance) C4'-P energy: -159.786 bonds (distance) P-C4' energy: -145.446 flat angles C4'-P-C4' energy: -158.695 flat angles P-C4'-P energy: -117.660 tors. eta vs tors. theta energy: -179.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3759.302003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3759.302003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3759.302003 (E_RNA) where: Base-Base interactions energy: -2725.979 where: short stacking energy: -1055.605 Base-Backbone interact. energy: -2.200 local terms energy: -1031.123319 where: bonds (distance) C4'-P energy: -181.773 bonds (distance) P-C4' energy: -180.338 flat angles C4'-P-C4' energy: -216.594 flat angles P-C4'-P energy: -149.759 tors. eta vs tors. theta energy: -302.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -3626.688009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3626.688009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3626.688009 (E_RNA) where: Base-Base interactions energy: -2661.202 where: short stacking energy: -1010.851 Base-Backbone interact. energy: -0.435 local terms energy: -965.050903 where: bonds (distance) C4'-P energy: -170.096 bonds (distance) P-C4' energy: -178.434 flat angles C4'-P-C4' energy: -209.116 flat angles P-C4'-P energy: -125.721 tors. eta vs tors. theta energy: -281.684 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: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -3486.418592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3486.418592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3486.418592 (E_RNA) where: Base-Base interactions energy: -2537.521 where: short stacking energy: -977.322 Base-Backbone interact. energy: 0.289 local terms energy: -949.186604 where: bonds (distance) C4'-P energy: -169.343 bonds (distance) P-C4' energy: -168.180 flat angles C4'-P-C4' energy: -201.188 flat angles P-C4'-P energy: -138.465 tors. eta vs tors. theta energy: -272.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -3420.568700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3420.568700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3420.568700 (E_RNA) where: Base-Base interactions energy: -2474.688 where: short stacking energy: -986.517 Base-Backbone interact. energy: -1.383 local terms energy: -944.497911 where: bonds (distance) C4'-P energy: -176.850 bonds (distance) P-C4' energy: -153.671 flat angles C4'-P-C4' energy: -187.249 flat angles P-C4'-P energy: -142.672 tors. eta vs tors. theta energy: -284.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -3362.499310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3362.499310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3362.499310 (E_RNA) where: Base-Base interactions energy: -2424.698 where: short stacking energy: -942.706 Base-Backbone interact. energy: -1.584 local terms energy: -936.216553 where: bonds (distance) C4'-P energy: -168.057 bonds (distance) P-C4' energy: -163.249 flat angles C4'-P-C4' energy: -190.750 flat angles P-C4'-P energy: -143.012 tors. eta vs tors. theta energy: -271.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -3172.896277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.896277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.896277 (E_RNA) where: Base-Base interactions energy: -2337.194 where: short stacking energy: -880.450 Base-Backbone interact. energy: -3.486 local terms energy: -832.216519 where: bonds (distance) C4'-P energy: -149.642 bonds (distance) P-C4' energy: -152.210 flat angles C4'-P-C4' energy: -187.683 flat angles P-C4'-P energy: -96.492 tors. eta vs tors. theta energy: -246.190 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: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -3069.392145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.392145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.392145 (E_RNA) where: Base-Base interactions energy: -2209.585 where: short stacking energy: -884.647 Base-Backbone interact. energy: -2.559 local terms energy: -857.247411 where: bonds (distance) C4'-P energy: -161.024 bonds (distance) P-C4' energy: -136.796 flat angles C4'-P-C4' energy: -188.080 flat angles P-C4'-P energy: -114.761 tors. eta vs tors. theta energy: -256.586 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: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -2968.924941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.924941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.924941 (E_RNA) where: Base-Base interactions energy: -2143.443 where: short stacking energy: -818.996 Base-Backbone interact. energy: -1.164 local terms energy: -824.317748 where: bonds (distance) C4'-P energy: -153.319 bonds (distance) P-C4' energy: -163.996 flat angles C4'-P-C4' energy: -171.836 flat angles P-C4'-P energy: -99.298 tors. eta vs tors. theta energy: -235.870 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: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -2711.864819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.864819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.864819 (E_RNA) where: Base-Base interactions energy: -1930.359 where: short stacking energy: -738.384 Base-Backbone interact. energy: 0.490 local terms energy: -781.996732 where: bonds (distance) C4'-P energy: -147.928 bonds (distance) P-C4' energy: -150.797 flat angles C4'-P-C4' energy: -164.710 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -210.402 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: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -2463.377524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.377524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.377524 (E_RNA) where: Base-Base interactions energy: -1737.604 where: short stacking energy: -688.492 Base-Backbone interact. energy: 0.130 local terms energy: -725.903325 where: bonds (distance) C4'-P energy: -139.173 bonds (distance) P-C4' energy: -137.491 flat angles C4'-P-C4' energy: -152.824 flat angles P-C4'-P energy: -108.538 tors. eta vs tors. theta energy: -187.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3753.829362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3753.829362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3753.829362 (E_RNA) where: Base-Base interactions energy: -2696.812 where: short stacking energy: -1045.716 Base-Backbone interact. energy: -0.371 local terms energy: -1056.646465 where: bonds (distance) C4'-P energy: -182.108 bonds (distance) P-C4' energy: -190.834 flat angles C4'-P-C4' energy: -213.328 flat angles P-C4'-P energy: -154.796 tors. eta vs tors. theta energy: -315.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -3643.622815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3643.622815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3643.622815 (E_RNA) where: Base-Base interactions energy: -2615.203 where: short stacking energy: -1008.770 Base-Backbone interact. energy: -1.054 local terms energy: -1027.366338 where: bonds (distance) C4'-P energy: -178.433 bonds (distance) P-C4' energy: -191.997 flat angles C4'-P-C4' energy: -226.750 flat angles P-C4'-P energy: -142.524 tors. eta vs tors. theta energy: -287.663 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: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -3539.713623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3539.713623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3539.713623 (E_RNA) where: Base-Base interactions energy: -2522.267 where: short stacking energy: -992.734 Base-Backbone interact. energy: 1.572 local terms energy: -1019.018497 where: bonds (distance) C4'-P energy: -183.988 bonds (distance) P-C4' energy: -185.177 flat angles C4'-P-C4' energy: -207.150 flat angles P-C4'-P energy: -154.688 tors. eta vs tors. theta energy: -288.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -3446.731395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3446.731395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3446.731395 (E_RNA) where: Base-Base interactions energy: -2467.611 where: short stacking energy: -973.509 Base-Backbone interact. energy: -1.496 local terms energy: -977.623971 where: bonds (distance) C4'-P energy: -171.029 bonds (distance) P-C4' energy: -152.192 flat angles C4'-P-C4' energy: -207.320 flat angles P-C4'-P energy: -153.758 tors. eta vs tors. theta energy: -293.324 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: 139 Temperature: 1.100000 Total energy: -3369.817725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.817725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.817725 (E_RNA) where: Base-Base interactions energy: -2397.582 where: short stacking energy: -934.305 Base-Backbone interact. energy: -2.902 local terms energy: -969.334284 where: bonds (distance) C4'-P energy: -171.043 bonds (distance) P-C4' energy: -164.045 flat angles C4'-P-C4' energy: -208.016 flat angles P-C4'-P energy: -149.159 tors. eta vs tors. theta energy: -277.071 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: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -3139.282983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.282983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.282983 (E_RNA) where: Base-Base interactions energy: -2283.784 where: short stacking energy: -888.847 Base-Backbone interact. energy: -3.660 local terms energy: -851.838577 where: bonds (distance) C4'-P energy: -166.594 bonds (distance) P-C4' energy: -160.449 flat angles C4'-P-C4' energy: -169.819 flat angles P-C4'-P energy: -111.301 tors. eta vs tors. theta energy: -243.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -3067.054037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.054037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.054037 (E_RNA) where: Base-Base interactions energy: -2206.157 where: short stacking energy: -885.691 Base-Backbone interact. energy: -0.340 local terms energy: -860.556790 where: bonds (distance) C4'-P energy: -152.415 bonds (distance) P-C4' energy: -143.712 flat angles C4'-P-C4' energy: -198.005 flat angles P-C4'-P energy: -114.064 tors. eta vs tors. theta energy: -252.361 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: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -2953.379168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.379168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.379168 (E_RNA) where: Base-Base interactions energy: -2119.730 where: short stacking energy: -832.731 Base-Backbone interact. energy: 0.215 local terms energy: -833.863770 where: bonds (distance) C4'-P energy: -155.616 bonds (distance) P-C4' energy: -153.053 flat angles C4'-P-C4' energy: -189.560 flat angles P-C4'-P energy: -108.010 tors. eta vs tors. theta energy: -227.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -2766.052561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.052561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.052561 (E_RNA) where: Base-Base interactions energy: -1983.992 where: short stacking energy: -782.873 Base-Backbone interact. energy: -1.359 local terms energy: -780.701696 where: bonds (distance) C4'-P energy: -138.290 bonds (distance) P-C4' energy: -128.104 flat angles C4'-P-C4' energy: -177.770 flat angles P-C4'-P energy: -105.923 tors. eta vs tors. theta energy: -230.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -2524.209629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.209629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.209629 (E_RNA) where: Base-Base interactions energy: -1797.702 where: short stacking energy: -699.191 Base-Backbone interact. energy: -1.102 local terms energy: -725.405724 where: bonds (distance) C4'-P energy: -129.102 bonds (distance) P-C4' energy: -140.037 flat angles C4'-P-C4' energy: -171.987 flat angles P-C4'-P energy: -105.100 tors. eta vs tors. theta energy: -179.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3746.925282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3746.925282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3746.925282 (E_RNA) where: Base-Base interactions energy: -2699.749 where: short stacking energy: -1068.647 Base-Backbone interact. energy: -2.679 local terms energy: -1044.496912 where: bonds (distance) C4'-P energy: -175.675 bonds (distance) P-C4' energy: -174.973 flat angles C4'-P-C4' energy: -229.815 flat angles P-C4'-P energy: -157.962 tors. eta vs tors. theta energy: -306.072 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: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -3661.451321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3661.451321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3661.451321 (E_RNA) where: Base-Base interactions energy: -2656.923 where: short stacking energy: -1017.777 Base-Backbone interact. energy: -3.267 local terms energy: -1001.261183 where: bonds (distance) C4'-P energy: -174.843 bonds (distance) P-C4' energy: -196.046 flat angles C4'-P-C4' energy: -211.674 flat angles P-C4'-P energy: -133.924 tors. eta vs tors. theta energy: -284.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -3522.632717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3522.632717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3522.632717 (E_RNA) where: Base-Base interactions energy: -2500.501 where: short stacking energy: -1005.592 Base-Backbone interact. energy: -2.843 local terms energy: -1019.288533 where: bonds (distance) C4'-P energy: -193.007 bonds (distance) P-C4' energy: -176.356 flat angles C4'-P-C4' energy: -216.272 flat angles P-C4'-P energy: -149.807 tors. eta vs tors. theta energy: -283.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -3439.242034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.242034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.242034 (E_RNA) where: Base-Base interactions energy: -2477.648 where: short stacking energy: -960.608 Base-Backbone interact. energy: -0.748 local terms energy: -960.846178 where: bonds (distance) C4'-P energy: -171.699 bonds (distance) P-C4' energy: -172.852 flat angles C4'-P-C4' energy: -208.391 flat angles P-C4'-P energy: -130.734 tors. eta vs tors. theta energy: -277.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -3421.629742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3421.629742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3421.629742 (E_RNA) where: Base-Base interactions energy: -2474.754 where: short stacking energy: -976.982 Base-Backbone interact. energy: -1.598 local terms energy: -945.277360 where: bonds (distance) C4'-P energy: -167.987 bonds (distance) P-C4' energy: -158.058 flat angles C4'-P-C4' energy: -211.197 flat angles P-C4'-P energy: -128.910 tors. eta vs tors. theta energy: -279.125 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: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -3116.278568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.278568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.278568 (E_RNA) where: Base-Base interactions energy: -2239.030 where: short stacking energy: -882.242 Base-Backbone interact. energy: -0.692 local terms energy: -876.556662 where: bonds (distance) C4'-P energy: -152.127 bonds (distance) P-C4' energy: -169.544 flat angles C4'-P-C4' energy: -176.138 flat angles P-C4'-P energy: -127.549 tors. eta vs tors. theta energy: -251.199 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: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -3077.708361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.708361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.708361 (E_RNA) where: Base-Base interactions energy: -2204.187 where: short stacking energy: -875.250 Base-Backbone interact. energy: 0.885 local terms energy: -874.406258 where: bonds (distance) C4'-P energy: -158.030 bonds (distance) P-C4' energy: -157.218 flat angles C4'-P-C4' energy: -188.394 flat angles P-C4'-P energy: -119.441 tors. eta vs tors. theta energy: -251.324 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: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -2980.284433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.284433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.284433 (E_RNA) where: Base-Base interactions energy: -2159.300 where: short stacking energy: -843.136 Base-Backbone interact. energy: -0.008 local terms energy: -820.976488 where: bonds (distance) C4'-P energy: -143.779 bonds (distance) P-C4' energy: -132.608 flat angles C4'-P-C4' energy: -192.284 flat angles P-C4'-P energy: -116.246 tors. eta vs tors. theta energy: -236.060 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: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -2603.831009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.831009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.831009 (E_RNA) where: Base-Base interactions energy: -1851.874 where: short stacking energy: -743.401 Base-Backbone interact. energy: 4.348 local terms energy: -756.304959 where: bonds (distance) C4'-P energy: -154.932 bonds (distance) P-C4' energy: -125.475 flat angles C4'-P-C4' energy: -155.342 flat angles P-C4'-P energy: -122.486 tors. eta vs tors. theta energy: -198.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -2746.034712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.034712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.034712 (E_RNA) where: Base-Base interactions energy: -1964.884 where: short stacking energy: -784.275 Base-Backbone interact. energy: -2.083 local terms energy: -779.068189 where: bonds (distance) C4'-P energy: -137.565 bonds (distance) P-C4' energy: -149.792 flat angles C4'-P-C4' energy: -172.616 flat angles P-C4'-P energy: -105.898 tors. eta vs tors. theta energy: -213.198 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: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -3778.366475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3778.366475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3778.366475 (E_RNA) where: Base-Base interactions energy: -2730.866 where: short stacking energy: -1067.537 Base-Backbone interact. energy: -0.895 local terms energy: -1046.605697 where: bonds (distance) C4'-P energy: -194.443 bonds (distance) P-C4' energy: -180.559 flat angles C4'-P-C4' energy: -218.552 flat angles P-C4'-P energy: -148.768 tors. eta vs tors. theta energy: -304.283 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: 141 Temperature: 0.950000 Total energy: -3618.971750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3618.971750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3618.971750 (E_RNA) where: Base-Base interactions energy: -2624.387 where: short stacking energy: -979.250 Base-Backbone interact. energy: -0.861 local terms energy: -993.724009 where: bonds (distance) C4'-P energy: -176.861 bonds (distance) P-C4' energy: -178.349 flat angles C4'-P-C4' energy: -212.002 flat angles P-C4'-P energy: -144.010 tors. eta vs tors. theta energy: -282.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -3528.174040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3528.174040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3528.174040 (E_RNA) where: Base-Base interactions energy: -2553.804 where: short stacking energy: -1012.901 Base-Backbone interact. energy: 0.516 local terms energy: -974.886757 where: bonds (distance) C4'-P energy: -159.945 bonds (distance) P-C4' energy: -171.375 flat angles C4'-P-C4' energy: -209.487 flat angles P-C4'-P energy: -141.561 tors. eta vs tors. theta energy: -292.518 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: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -3427.505837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3427.505837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3427.505837 (E_RNA) where: Base-Base interactions energy: -2499.710 where: short stacking energy: -968.266 Base-Backbone interact. energy: -0.646 local terms energy: -927.149985 where: bonds (distance) C4'-P energy: -150.671 bonds (distance) P-C4' energy: -158.286 flat angles C4'-P-C4' energy: -198.366 flat angles P-C4'-P energy: -139.902 tors. eta vs tors. theta energy: -279.926 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: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -3420.219618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3420.219618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3420.219618 (E_RNA) where: Base-Base interactions energy: -2481.886 where: short stacking energy: -956.506 Base-Backbone interact. energy: -2.748 local terms energy: -935.586222 where: bonds (distance) C4'-P energy: -142.765 bonds (distance) P-C4' energy: -149.176 flat angles C4'-P-C4' energy: -203.295 flat angles P-C4'-P energy: -152.875 tors. eta vs tors. theta energy: -287.475 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: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -3117.039358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.039358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.039358 (E_RNA) where: Base-Base interactions energy: -2235.816 where: short stacking energy: -849.128 Base-Backbone interact. energy: 3.300 local terms energy: -884.523685 where: bonds (distance) C4'-P energy: -145.063 bonds (distance) P-C4' energy: -163.231 flat angles C4'-P-C4' energy: -193.236 flat angles P-C4'-P energy: -149.455 tors. eta vs tors. theta energy: -233.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -3044.190862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.190862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.190862 (E_RNA) where: Base-Base interactions energy: -2192.101 where: short stacking energy: -857.763 Base-Backbone interact. energy: 0.189 local terms energy: -852.278478 where: bonds (distance) C4'-P energy: -136.758 bonds (distance) P-C4' energy: -159.114 flat angles C4'-P-C4' energy: -177.259 flat angles P-C4'-P energy: -125.267 tors. eta vs tors. theta energy: -253.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -2867.251066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.251066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.251066 (E_RNA) where: Base-Base interactions energy: -2038.707 where: short stacking energy: -802.482 Base-Backbone interact. energy: -1.932 local terms energy: -826.611910 where: bonds (distance) C4'-P energy: -155.690 bonds (distance) P-C4' energy: -165.270 flat angles C4'-P-C4' energy: -179.823 flat angles P-C4'-P energy: -98.693 tors. eta vs tors. theta energy: -227.136 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: 9, replica: 4 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -2634.854690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.854690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.854690 (E_RNA) where: Base-Base interactions energy: -1890.959 where: short stacking energy: -741.254 Base-Backbone interact. energy: 0.385 local terms energy: -744.280888 where: bonds (distance) C4'-P energy: -131.605 bonds (distance) P-C4' energy: -159.616 flat angles C4'-P-C4' energy: -169.513 flat angles P-C4'-P energy: -99.960 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: 10, replica: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -2681.189758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.189758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.189758 (E_RNA) where: Base-Base interactions energy: -1923.301 where: short stacking energy: -744.655 Base-Backbone interact. energy: 1.525 local terms energy: -759.413511 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -141.197 flat angles C4'-P-C4' energy: -170.864 flat angles P-C4'-P energy: -104.983 tors. eta vs tors. theta energy: -197.053 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: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3775.562125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3775.562125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3775.562125 (E_RNA) where: Base-Base interactions energy: -2726.653 where: short stacking energy: -1073.760 Base-Backbone interact. energy: 1.152 local terms energy: -1050.061242 where: bonds (distance) C4'-P energy: -180.137 bonds (distance) P-C4' energy: -174.975 flat angles C4'-P-C4' energy: -229.037 flat angles P-C4'-P energy: -155.346 tors. eta vs tors. theta energy: -310.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -3626.356842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3626.356842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3626.356842 (E_RNA) where: Base-Base interactions energy: -2661.220 where: short stacking energy: -1010.673 Base-Backbone interact. energy: -0.400 local terms energy: -964.736826 where: bonds (distance) C4'-P energy: -182.068 bonds (distance) P-C4' energy: -165.537 flat angles C4'-P-C4' energy: -204.296 flat angles P-C4'-P energy: -130.580 tors. eta vs tors. theta energy: -282.256 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: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -3529.179722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3529.179722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3529.179722 (E_RNA) where: Base-Base interactions energy: -2529.610 where: short stacking energy: -986.781 Base-Backbone interact. energy: 0.353 local terms energy: -999.922012 where: bonds (distance) C4'-P energy: -183.086 bonds (distance) P-C4' energy: -186.516 flat angles C4'-P-C4' energy: -203.640 flat angles P-C4'-P energy: -132.480 tors. eta vs tors. theta energy: -294.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -3404.097031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3404.097031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3404.097031 (E_RNA) where: Base-Base interactions energy: -2450.250 where: short stacking energy: -957.357 Base-Backbone interact. energy: 1.770 local terms energy: -955.616789 where: bonds (distance) C4'-P energy: -155.345 bonds (distance) P-C4' energy: -174.122 flat angles C4'-P-C4' energy: -205.430 flat angles P-C4'-P energy: -138.034 tors. eta vs tors. theta energy: -282.686 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: 142 Temperature: 1.100000 Total energy: -3410.627836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3410.627836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3410.627836 (E_RNA) where: Base-Base interactions energy: -2460.208 where: short stacking energy: -973.922 Base-Backbone interact. energy: -1.863 local terms energy: -948.556236 where: bonds (distance) C4'-P energy: -171.978 bonds (distance) P-C4' energy: -182.104 flat angles C4'-P-C4' energy: -203.674 flat angles P-C4'-P energy: -122.391 tors. eta vs tors. theta energy: -268.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -3128.991875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.991875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.991875 (E_RNA) where: Base-Base interactions energy: -2273.552 where: short stacking energy: -891.306 Base-Backbone interact. energy: -0.403 local terms energy: -855.037187 where: bonds (distance) C4'-P energy: -160.220 bonds (distance) P-C4' energy: -149.263 flat angles C4'-P-C4' energy: -174.901 flat angles P-C4'-P energy: -135.391 tors. eta vs tors. theta energy: -235.262 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: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -3104.239554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.239554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.239554 (E_RNA) where: Base-Base interactions energy: -2236.346 where: short stacking energy: -878.854 Base-Backbone interact. energy: -1.705 local terms energy: -866.188070 where: bonds (distance) C4'-P energy: -146.991 bonds (distance) P-C4' energy: -158.447 flat angles C4'-P-C4' energy: -188.007 flat angles P-C4'-P energy: -131.935 tors. eta vs tors. theta energy: -240.807 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: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -2930.538966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.538966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.538966 (E_RNA) where: Base-Base interactions energy: -2086.536 where: short stacking energy: -806.466 Base-Backbone interact. energy: -1.641 local terms energy: -842.361961 where: bonds (distance) C4'-P energy: -158.685 bonds (distance) P-C4' energy: -159.875 flat angles C4'-P-C4' energy: -185.597 flat angles P-C4'-P energy: -110.467 tors. eta vs tors. theta energy: -227.737 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: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -2646.483276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.483276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.483276 (E_RNA) where: Base-Base interactions energy: -1892.195 where: short stacking energy: -735.605 Base-Backbone interact. energy: 6.247 local terms energy: -760.535705 where: bonds (distance) C4'-P energy: -153.471 bonds (distance) P-C4' energy: -148.979 flat angles C4'-P-C4' energy: -158.982 flat angles P-C4'-P energy: -115.321 tors. eta vs tors. theta energy: -183.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -2641.497033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.497033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.497033 (E_RNA) where: Base-Base interactions energy: -1908.133 where: short stacking energy: -742.503 Base-Backbone interact. energy: 1.181 local terms energy: -734.545003 where: bonds (distance) C4'-P energy: -126.532 bonds (distance) P-C4' energy: -119.209 flat angles C4'-P-C4' energy: -175.645 flat angles P-C4'-P energy: -115.947 tors. eta vs tors. theta energy: -197.212 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: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3767.754446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3767.754446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3767.754446 (E_RNA) where: Base-Base interactions energy: -2745.457 where: short stacking energy: -1073.926 Base-Backbone interact. energy: -0.876 local terms energy: -1021.421089 where: bonds (distance) C4'-P energy: -167.913 bonds (distance) P-C4' energy: -173.296 flat angles C4'-P-C4' energy: -217.426 flat angles P-C4'-P energy: -162.163 tors. eta vs tors. theta energy: -300.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -3658.747156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3658.747156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3658.747156 (E_RNA) where: Base-Base interactions energy: -2664.563 where: short stacking energy: -1041.877 Base-Backbone interact. energy: -3.325 local terms energy: -990.859440 where: bonds (distance) C4'-P energy: -170.058 bonds (distance) P-C4' energy: -180.803 flat angles C4'-P-C4' energy: -195.416 flat angles P-C4'-P energy: -151.566 tors. eta vs tors. theta energy: -293.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -3519.635249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3519.635249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3519.635249 (E_RNA) where: Base-Base interactions energy: -2546.661 where: short stacking energy: -1001.756 Base-Backbone interact. energy: -1.352 local terms energy: -971.622734 where: bonds (distance) C4'-P energy: -171.279 bonds (distance) P-C4' energy: -182.125 flat angles C4'-P-C4' energy: -200.848 flat angles P-C4'-P energy: -137.078 tors. eta vs tors. theta energy: -280.293 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: 143 Temperature: 1.050000 Total energy: -3435.174928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.174928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.174928 (E_RNA) where: Base-Base interactions energy: -2481.394 where: short stacking energy: -953.896 Base-Backbone interact. energy: -1.947 local terms energy: -951.833675 where: bonds (distance) C4'-P energy: -169.003 bonds (distance) P-C4' energy: -164.496 flat angles C4'-P-C4' energy: -209.835 flat angles P-C4'-P energy: -131.355 tors. eta vs tors. theta energy: -277.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -3395.606179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3395.606179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3395.606179 (E_RNA) where: Base-Base interactions energy: -2448.641 where: short stacking energy: -963.135 Base-Backbone interact. energy: -1.322 local terms energy: -945.642678 where: bonds (distance) C4'-P energy: -164.061 bonds (distance) P-C4' energy: -182.661 flat angles C4'-P-C4' energy: -192.758 flat angles P-C4'-P energy: -124.117 tors. eta vs tors. theta energy: -282.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -3137.198167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.198167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.198167 (E_RNA) where: Base-Base interactions energy: -2255.971 where: short stacking energy: -857.260 Base-Backbone interact. energy: -1.843 local terms energy: -879.383626 where: bonds (distance) C4'-P energy: -167.321 bonds (distance) P-C4' energy: -164.393 flat angles C4'-P-C4' energy: -185.740 flat angles P-C4'-P energy: -123.126 tors. eta vs tors. theta energy: -238.805 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: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -3039.207007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.207007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.207007 (E_RNA) where: Base-Base interactions energy: -2174.082 where: short stacking energy: -832.593 Base-Backbone interact. energy: -0.255 local terms energy: -864.870784 where: bonds (distance) C4'-P energy: -143.322 bonds (distance) P-C4' energy: -150.712 flat angles C4'-P-C4' energy: -198.016 flat angles P-C4'-P energy: -125.655 tors. eta vs tors. theta energy: -247.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -2919.264525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.264525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.264525 (E_RNA) where: Base-Base interactions energy: -2111.096 where: short stacking energy: -814.582 Base-Backbone interact. energy: -0.594 local terms energy: -807.574633 where: bonds (distance) C4'-P energy: -153.892 bonds (distance) P-C4' energy: -121.911 flat angles C4'-P-C4' energy: -182.594 flat angles P-C4'-P energy: -106.337 tors. eta vs tors. theta energy: -242.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -2642.688299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.688299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.688299 (E_RNA) where: Base-Base interactions energy: -1841.473 where: short stacking energy: -717.316 Base-Backbone interact. energy: -0.370 local terms energy: -800.845630 where: bonds (distance) C4'-P energy: -159.401 bonds (distance) P-C4' energy: -164.611 flat angles C4'-P-C4' energy: -178.506 flat angles P-C4'-P energy: -106.461 tors. eta vs tors. theta energy: -191.867 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: 10, replica: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -2575.183930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.183930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.183930 (E_RNA) where: Base-Base interactions energy: -1853.147 where: short stacking energy: -721.499 Base-Backbone interact. energy: 3.570 local terms energy: -725.607447 where: bonds (distance) C4'-P energy: -155.995 bonds (distance) P-C4' energy: -142.544 flat angles C4'-P-C4' energy: -168.579 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -182.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3767.212757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3767.212757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3767.212757 (E_RNA) where: Base-Base interactions energy: -2730.710 where: short stacking energy: -1054.442 Base-Backbone interact. energy: -2.303 local terms energy: -1034.200480 where: bonds (distance) C4'-P energy: -183.681 bonds (distance) P-C4' energy: -173.148 flat angles C4'-P-C4' energy: -216.535 flat angles P-C4'-P energy: -158.250 tors. eta vs tors. theta energy: -302.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -3686.079528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3686.079528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3686.079528 (E_RNA) where: Base-Base interactions energy: -2686.449 where: short stacking energy: -1021.654 Base-Backbone interact. energy: -1.221 local terms energy: -998.409365 where: bonds (distance) C4'-P energy: -193.721 bonds (distance) P-C4' energy: -169.279 flat angles C4'-P-C4' energy: -212.472 flat angles P-C4'-P energy: -132.192 tors. eta vs tors. theta energy: -290.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -3486.857330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3486.857330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3486.857330 (E_RNA) where: Base-Base interactions energy: -2518.256 where: short stacking energy: -976.384 Base-Backbone interact. energy: 6.399 local terms energy: -975.000544 where: bonds (distance) C4'-P energy: -159.748 bonds (distance) P-C4' energy: -177.431 flat angles C4'-P-C4' energy: -212.843 flat angles P-C4'-P energy: -144.165 tors. eta vs tors. theta energy: -280.813 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: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -3472.817063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.817063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.817063 (E_RNA) where: Base-Base interactions energy: -2520.081 where: short stacking energy: -979.563 Base-Backbone interact. energy: 2.434 local terms energy: -955.170594 where: bonds (distance) C4'-P energy: -175.920 bonds (distance) P-C4' energy: -159.974 flat angles C4'-P-C4' energy: -210.714 flat angles P-C4'-P energy: -124.436 tors. eta vs tors. theta energy: -284.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -3389.839369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3389.839369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3389.839369 (E_RNA) where: Base-Base interactions energy: -2449.248 where: short stacking energy: -956.147 Base-Backbone interact. energy: -2.881 local terms energy: -937.710272 where: bonds (distance) C4'-P energy: -164.201 bonds (distance) P-C4' energy: -166.777 flat angles C4'-P-C4' energy: -197.388 flat angles P-C4'-P energy: -131.990 tors. eta vs tors. theta energy: -277.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -3110.961589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.961589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.961589 (E_RNA) where: Base-Base interactions energy: -2253.548 where: short stacking energy: -879.029 Base-Backbone interact. energy: -3.870 local terms energy: -853.543361 where: bonds (distance) C4'-P energy: -153.256 bonds (distance) P-C4' energy: -165.139 flat angles C4'-P-C4' energy: -192.825 flat angles P-C4'-P energy: -98.057 tors. eta vs tors. theta energy: -244.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -3096.499210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.499210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.499210 (E_RNA) where: Base-Base interactions energy: -2216.210 where: short stacking energy: -897.524 Base-Backbone interact. energy: 0.978 local terms energy: -881.267223 where: bonds (distance) C4'-P energy: -155.052 bonds (distance) P-C4' energy: -163.153 flat angles C4'-P-C4' energy: -190.884 flat angles P-C4'-P energy: -129.116 tors. eta vs tors. theta energy: -243.061 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: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -2908.257564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.257564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.257564 (E_RNA) where: Base-Base interactions energy: -2109.350 where: short stacking energy: -822.025 Base-Backbone interact. energy: 6.571 local terms energy: -805.478608 where: bonds (distance) C4'-P energy: -137.052 bonds (distance) P-C4' energy: -139.203 flat angles C4'-P-C4' energy: -169.509 flat angles P-C4'-P energy: -115.171 tors. eta vs tors. theta energy: -244.544 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: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -2622.365307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.365307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.365307 (E_RNA) where: Base-Base interactions energy: -1877.389 where: short stacking energy: -729.218 Base-Backbone interact. energy: -0.494 local terms energy: -744.482570 where: bonds (distance) C4'-P energy: -150.052 bonds (distance) P-C4' energy: -119.580 flat angles C4'-P-C4' energy: -165.012 flat angles P-C4'-P energy: -94.514 tors. eta vs tors. theta energy: -215.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -2546.738186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.738186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.738186 (E_RNA) where: Base-Base interactions energy: -1828.357 where: short stacking energy: -733.438 Base-Backbone interact. energy: 2.564 local terms energy: -720.944390 where: bonds (distance) C4'-P energy: -121.365 bonds (distance) P-C4' energy: -140.345 flat angles C4'-P-C4' energy: -170.137 flat angles P-C4'-P energy: -85.304 tors. eta vs tors. theta energy: -203.793 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: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3764.063887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3764.063887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3764.063887 (E_RNA) where: Base-Base interactions energy: -2727.348 where: short stacking energy: -1052.607 Base-Backbone interact. energy: 0.467 local terms energy: -1037.183370 where: bonds (distance) C4'-P energy: -186.276 bonds (distance) P-C4' energy: -180.555 flat angles C4'-P-C4' energy: -220.152 flat angles P-C4'-P energy: -147.502 tors. eta vs tors. theta energy: -302.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -3655.954314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3655.954314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3655.954314 (E_RNA) where: Base-Base interactions energy: -2664.641 where: short stacking energy: -1033.977 Base-Backbone interact. energy: -1.450 local terms energy: -989.862590 where: bonds (distance) C4'-P energy: -162.226 bonds (distance) P-C4' energy: -174.814 flat angles C4'-P-C4' energy: -205.564 flat angles P-C4'-P energy: -147.817 tors. eta vs tors. theta energy: -299.442 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: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -3524.059324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3524.059324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3524.059324 (E_RNA) where: Base-Base interactions energy: -2499.167 where: short stacking energy: -993.015 Base-Backbone interact. energy: -0.003 local terms energy: -1024.889274 where: bonds (distance) C4'-P energy: -194.408 bonds (distance) P-C4' energy: -189.151 flat angles C4'-P-C4' energy: -211.439 flat angles P-C4'-P energy: -148.113 tors. eta vs tors. theta energy: -281.778 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: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -3456.362873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3456.362873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3456.362873 (E_RNA) where: Base-Base interactions energy: -2497.182 where: short stacking energy: -976.402 Base-Backbone interact. energy: 2.534 local terms energy: -961.715382 where: bonds (distance) C4'-P energy: -157.115 bonds (distance) P-C4' energy: -177.804 flat angles C4'-P-C4' energy: -201.039 flat angles P-C4'-P energy: -147.036 tors. eta vs tors. theta energy: -278.721 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: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -3397.588665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3397.588665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3397.588665 (E_RNA) where: Base-Base interactions energy: -2454.568 where: short stacking energy: -965.706 Base-Backbone interact. energy: -0.650 local terms energy: -942.370737 where: bonds (distance) C4'-P energy: -179.508 bonds (distance) P-C4' energy: -163.411 flat angles C4'-P-C4' energy: -196.147 flat angles P-C4'-P energy: -128.112 tors. eta vs tors. theta energy: -275.193 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: 6, replica: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -3204.951299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.951299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.951299 (E_RNA) where: Base-Base interactions energy: -2285.337 where: short stacking energy: -922.174 Base-Backbone interact. energy: -2.307 local terms energy: -917.306442 where: bonds (distance) C4'-P energy: -164.432 bonds (distance) P-C4' energy: -174.412 flat angles C4'-P-C4' energy: -198.054 flat angles P-C4'-P energy: -128.492 tors. eta vs tors. theta energy: -251.917 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: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -3047.437494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.437494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.437494 (E_RNA) where: Base-Base interactions energy: -2169.922 where: short stacking energy: -830.119 Base-Backbone interact. energy: -0.482 local terms energy: -877.033182 where: bonds (distance) C4'-P energy: -143.913 bonds (distance) P-C4' energy: -172.762 flat angles C4'-P-C4' energy: -197.783 flat angles P-C4'-P energy: -123.779 tors. eta vs tors. theta energy: -238.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -2923.190500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.190500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.190500 (E_RNA) where: Base-Base interactions energy: -2068.746 where: short stacking energy: -818.674 Base-Backbone interact. energy: -2.751 local terms energy: -851.693185 where: bonds (distance) C4'-P energy: -150.744 bonds (distance) P-C4' energy: -176.533 flat angles C4'-P-C4' energy: -179.226 flat angles P-C4'-P energy: -121.269 tors. eta vs tors. theta energy: -223.921 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: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -2645.653288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.653288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.653288 (E_RNA) where: Base-Base interactions energy: -1866.221 where: short stacking energy: -741.413 Base-Backbone interact. energy: -2.229 local terms energy: -777.203651 where: bonds (distance) C4'-P energy: -144.901 bonds (distance) P-C4' energy: -154.438 flat angles C4'-P-C4' energy: -177.797 flat angles P-C4'-P energy: -107.614 tors. eta vs tors. theta energy: -192.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -2592.262275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.262275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.262275 (E_RNA) where: Base-Base interactions energy: -1869.228 where: short stacking energy: -754.424 Base-Backbone interact. energy: 1.371 local terms energy: -724.405238 where: bonds (distance) C4'-P energy: -124.148 bonds (distance) P-C4' energy: -123.496 flat angles C4'-P-C4' energy: -175.204 flat angles P-C4'-P energy: -95.785 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: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3767.852413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3767.852413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3767.852413 (E_RNA) where: Base-Base interactions energy: -2741.754 where: short stacking energy: -1059.057 Base-Backbone interact. energy: 0.931 local terms energy: -1027.028994 where: bonds (distance) C4'-P energy: -181.535 bonds (distance) P-C4' energy: -174.778 flat angles C4'-P-C4' energy: -221.679 flat angles P-C4'-P energy: -154.354 tors. eta vs tors. theta energy: -294.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -3646.482178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3646.482178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3646.482178 (E_RNA) where: Base-Base interactions energy: -2634.060 where: short stacking energy: -1032.824 Base-Backbone interact. energy: -0.248 local terms energy: -1012.174214 where: bonds (distance) C4'-P energy: -186.185 bonds (distance) P-C4' energy: -162.034 flat angles C4'-P-C4' energy: -215.555 flat angles P-C4'-P energy: -153.851 tors. eta vs tors. theta energy: -294.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -3506.798637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3506.798637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3506.798637 (E_RNA) where: Base-Base interactions energy: -2552.042 where: short stacking energy: -976.391 Base-Backbone interact. energy: 8.351 local terms energy: -963.108308 where: bonds (distance) C4'-P energy: -177.511 bonds (distance) P-C4' energy: -166.096 flat angles C4'-P-C4' energy: -207.126 flat angles P-C4'-P energy: -138.556 tors. eta vs tors. theta energy: -273.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -3414.904535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.904535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.904535 (E_RNA) where: Base-Base interactions energy: -2503.823 where: short stacking energy: -952.849 Base-Backbone interact. energy: 1.466 local terms energy: -912.548021 where: bonds (distance) C4'-P energy: -138.913 bonds (distance) P-C4' energy: -164.877 flat angles C4'-P-C4' energy: -202.762 flat angles P-C4'-P energy: -131.924 tors. eta vs tors. theta energy: -274.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -3369.487073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.487073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.487073 (E_RNA) where: Base-Base interactions energy: -2444.024 where: short stacking energy: -933.826 Base-Backbone interact. energy: 3.784 local terms energy: -929.247611 where: bonds (distance) C4'-P energy: -170.525 bonds (distance) P-C4' energy: -161.795 flat angles C4'-P-C4' energy: -189.466 flat angles P-C4'-P energy: -133.845 tors. eta vs tors. theta energy: -273.617 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: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -3182.804501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.804501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.804501 (E_RNA) where: Base-Base interactions energy: -2292.757 where: short stacking energy: -930.699 Base-Backbone interact. energy: -1.018 local terms energy: -889.029382 where: bonds (distance) C4'-P energy: -150.596 bonds (distance) P-C4' energy: -144.508 flat angles C4'-P-C4' energy: -200.875 flat angles P-C4'-P energy: -127.899 tors. eta vs tors. theta energy: -265.151 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: 146 Temperature: 1.200000 Total energy: -3023.513914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.513914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.513914 (E_RNA) where: Base-Base interactions energy: -2174.171 where: short stacking energy: -840.982 Base-Backbone interact. energy: -3.041 local terms energy: -846.301633 where: bonds (distance) C4'-P energy: -153.912 bonds (distance) P-C4' energy: -159.791 flat angles C4'-P-C4' energy: -175.276 flat angles P-C4'-P energy: -124.185 tors. eta vs tors. theta energy: -233.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -2947.380353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.380353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.380353 (E_RNA) where: Base-Base interactions energy: -2139.095 where: short stacking energy: -820.643 Base-Backbone interact. energy: -5.125 local terms energy: -803.160879 where: bonds (distance) C4'-P energy: -133.173 bonds (distance) P-C4' energy: -156.667 flat angles C4'-P-C4' energy: -162.752 flat angles P-C4'-P energy: -122.547 tors. eta vs tors. theta energy: -228.021 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: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -2730.302242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.302242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.302242 (E_RNA) where: Base-Base interactions energy: -1950.494 where: short stacking energy: -764.420 Base-Backbone interact. energy: 2.359 local terms energy: -782.167061 where: bonds (distance) C4'-P energy: -145.568 bonds (distance) P-C4' energy: -156.514 flat angles C4'-P-C4' energy: -177.551 flat angles P-C4'-P energy: -96.611 tors. eta vs tors. theta energy: -205.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -2523.638434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.638434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.638434 (E_RNA) where: Base-Base interactions energy: -1779.582 where: short stacking energy: -713.550 Base-Backbone interact. energy: 1.685 local terms energy: -745.741706 where: bonds (distance) C4'-P energy: -135.747 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -161.085 flat angles P-C4'-P energy: -109.111 tors. eta vs tors. theta energy: -202.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3768.748685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3768.748685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3768.748685 (E_RNA) where: Base-Base interactions energy: -2689.140 where: short stacking energy: -1024.800 Base-Backbone interact. energy: 1.496 local terms energy: -1081.104295 where: bonds (distance) C4'-P energy: -205.055 bonds (distance) P-C4' energy: -198.720 flat angles C4'-P-C4' energy: -206.314 flat angles P-C4'-P energy: -170.200 tors. eta vs tors. theta energy: -300.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -3637.518830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3637.518830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3637.518830 (E_RNA) where: Base-Base interactions energy: -2628.928 where: short stacking energy: -1019.274 Base-Backbone interact. energy: -2.182 local terms energy: -1006.408737 where: bonds (distance) C4'-P energy: -165.572 bonds (distance) P-C4' energy: -177.289 flat angles C4'-P-C4' energy: -220.659 flat angles P-C4'-P energy: -151.558 tors. eta vs tors. theta energy: -291.331 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: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -3508.945708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3508.945708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3508.945708 (E_RNA) where: Base-Base interactions energy: -2531.949 where: short stacking energy: -1016.016 Base-Backbone interact. energy: -0.521 local terms energy: -976.475613 where: bonds (distance) C4'-P energy: -165.804 bonds (distance) P-C4' energy: -163.548 flat angles C4'-P-C4' energy: -207.793 flat angles P-C4'-P energy: -141.479 tors. eta vs tors. theta energy: -297.851 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: 3 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -3472.746908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.746908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.746908 (E_RNA) where: Base-Base interactions energy: -2530.447 where: short stacking energy: -974.882 Base-Backbone interact. energy: -1.590 local terms energy: -940.710296 where: bonds (distance) C4'-P energy: -156.328 bonds (distance) P-C4' energy: -172.696 flat angles C4'-P-C4' energy: -206.533 flat angles P-C4'-P energy: -134.569 tors. eta vs tors. theta energy: -270.585 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: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -3389.789834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3389.789834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3389.789834 (E_RNA) where: Base-Base interactions energy: -2428.775 where: short stacking energy: -949.508 Base-Backbone interact. energy: 1.467 local terms energy: -962.481300 where: bonds (distance) C4'-P energy: -175.293 bonds (distance) P-C4' energy: -160.188 flat angles C4'-P-C4' energy: -207.902 flat angles P-C4'-P energy: -135.787 tors. eta vs tors. theta energy: -283.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -3216.849740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.849740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.849740 (E_RNA) where: Base-Base interactions energy: -2315.168 where: short stacking energy: -925.631 Base-Backbone interact. energy: -1.158 local terms energy: -900.523530 where: bonds (distance) C4'-P energy: -162.041 bonds (distance) P-C4' energy: -156.432 flat angles C4'-P-C4' energy: -199.570 flat angles P-C4'-P energy: -122.510 tors. eta vs tors. theta energy: -259.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -3038.087178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.087178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.087178 (E_RNA) where: Base-Base interactions energy: -2183.809 where: short stacking energy: -859.122 Base-Backbone interact. energy: -0.233 local terms energy: -854.044935 where: bonds (distance) C4'-P energy: -169.382 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -182.867 flat angles P-C4'-P energy: -115.575 tors. eta vs tors. theta energy: -237.257 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: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -2832.756699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.756699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.756699 (E_RNA) where: Base-Base interactions energy: -2034.715 where: short stacking energy: -777.548 Base-Backbone interact. energy: 3.610 local terms energy: -801.652004 where: bonds (distance) C4'-P energy: -150.491 bonds (distance) P-C4' energy: -148.954 flat angles C4'-P-C4' energy: -171.798 flat angles P-C4'-P energy: -106.600 tors. eta vs tors. theta energy: -223.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -2700.380137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.380137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.380137 (E_RNA) where: Base-Base interactions energy: -1942.537 where: short stacking energy: -782.938 Base-Backbone interact. energy: 4.387 local terms energy: -762.229714 where: bonds (distance) C4'-P energy: -143.682 bonds (distance) P-C4' energy: -124.824 flat angles C4'-P-C4' energy: -163.161 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -219.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -2403.595673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.595673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.595673 (E_RNA) where: Base-Base interactions energy: -1712.280 where: short stacking energy: -695.233 Base-Backbone interact. energy: 3.534 local terms energy: -694.849112 where: bonds (distance) C4'-P energy: -135.722 bonds (distance) P-C4' energy: -136.602 flat angles C4'-P-C4' energy: -161.520 flat angles P-C4'-P energy: -95.842 tors. eta vs tors. theta energy: -165.163 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: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3756.959869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.959869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.959869 (E_RNA) where: Base-Base interactions energy: -2741.187 where: short stacking energy: -1050.872 Base-Backbone interact. energy: -3.632 local terms energy: -1012.140787 where: bonds (distance) C4'-P energy: -162.647 bonds (distance) P-C4' energy: -179.973 flat angles C4'-P-C4' energy: -207.789 flat angles P-C4'-P energy: -158.386 tors. eta vs tors. theta energy: -303.345 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: 148 Temperature: 0.950000 Total energy: -3664.289095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3664.289095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3664.289095 (E_RNA) where: Base-Base interactions energy: -2651.753 where: short stacking energy: -1019.495 Base-Backbone interact. energy: 0.130 local terms energy: -1012.667050 where: bonds (distance) C4'-P energy: -173.300 bonds (distance) P-C4' energy: -180.103 flat angles C4'-P-C4' energy: -217.836 flat angles P-C4'-P energy: -152.332 tors. eta vs tors. theta energy: -289.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -3558.429856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.429856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.429856 (E_RNA) where: Base-Base interactions energy: -2561.674 where: short stacking energy: -1010.480 Base-Backbone interact. energy: -4.436 local terms energy: -992.319908 where: bonds (distance) C4'-P energy: -177.440 bonds (distance) P-C4' energy: -177.619 flat angles C4'-P-C4' energy: -206.974 flat angles P-C4'-P energy: -136.953 tors. eta vs tors. theta energy: -293.334 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: 148 Temperature: 1.050000 Total energy: -3495.267151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3495.267151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3495.267151 (E_RNA) where: Base-Base interactions energy: -2534.409 where: short stacking energy: -986.288 Base-Backbone interact. energy: -1.607 local terms energy: -959.250840 where: bonds (distance) C4'-P energy: -168.616 bonds (distance) P-C4' energy: -167.762 flat angles C4'-P-C4' energy: -198.101 flat angles P-C4'-P energy: -137.150 tors. eta vs tors. theta energy: -287.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -3396.153975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.153975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.153975 (E_RNA) where: Base-Base interactions energy: -2475.459 where: short stacking energy: -966.011 Base-Backbone interact. energy: 4.688 local terms energy: -925.382876 where: bonds (distance) C4'-P energy: -160.029 bonds (distance) P-C4' energy: -163.616 flat angles C4'-P-C4' energy: -211.029 flat angles P-C4'-P energy: -120.026 tors. eta vs tors. theta energy: -270.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -3174.764671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.764671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.764671 (E_RNA) where: Base-Base interactions energy: -2279.358 where: short stacking energy: -896.195 Base-Backbone interact. energy: 0.946 local terms energy: -896.352596 where: bonds (distance) C4'-P energy: -159.723 bonds (distance) P-C4' energy: -149.967 flat angles C4'-P-C4' energy: -197.818 flat angles P-C4'-P energy: -132.876 tors. eta vs tors. theta energy: -255.969 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: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -3077.560767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.560767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.560767 (E_RNA) where: Base-Base interactions energy: -2216.597 where: short stacking energy: -856.064 Base-Backbone interact. energy: -0.426 local terms energy: -860.537963 where: bonds (distance) C4'-P energy: -152.976 bonds (distance) P-C4' energy: -161.607 flat angles C4'-P-C4' energy: -185.815 flat angles P-C4'-P energy: -116.653 tors. eta vs tors. theta energy: -243.487 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: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -2814.835953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.835953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.835953 (E_RNA) where: Base-Base interactions energy: -2055.735 where: short stacking energy: -801.542 Base-Backbone interact. energy: 2.297 local terms energy: -761.398122 where: bonds (distance) C4'-P energy: -138.294 bonds (distance) P-C4' energy: -145.403 flat angles C4'-P-C4' energy: -164.090 flat angles P-C4'-P energy: -110.954 tors. eta vs tors. theta energy: -202.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -2746.210851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.210851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.210851 (E_RNA) where: Base-Base interactions energy: -1958.026 where: short stacking energy: -776.066 Base-Backbone interact. energy: -2.929 local terms energy: -785.255554 where: bonds (distance) C4'-P energy: -140.355 bonds (distance) P-C4' energy: -144.179 flat angles C4'-P-C4' energy: -174.166 flat angles P-C4'-P energy: -112.997 tors. eta vs tors. theta energy: -213.558 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: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -2386.883823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.883823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.883823 (E_RNA) where: Base-Base interactions energy: -1644.139 where: short stacking energy: -659.575 Base-Backbone interact. energy: -0.758 local terms energy: -741.987126 where: bonds (distance) C4'-P energy: -122.577 bonds (distance) P-C4' energy: -168.456 flat angles C4'-P-C4' energy: -171.070 flat angles P-C4'-P energy: -106.038 tors. eta vs tors. theta energy: -173.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3782.776611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3782.776611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3782.776611 (E_RNA) where: Base-Base interactions energy: -2738.686 where: short stacking energy: -1065.521 Base-Backbone interact. energy: -0.236 local terms energy: -1043.855303 where: bonds (distance) C4'-P energy: -188.366 bonds (distance) P-C4' energy: -186.270 flat angles C4'-P-C4' energy: -215.531 flat angles P-C4'-P energy: -150.845 tors. eta vs tors. theta energy: -302.842 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: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -3656.083013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.083013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.083013 (E_RNA) where: Base-Base interactions energy: -2676.774 where: short stacking energy: -1039.673 Base-Backbone interact. energy: 1.389 local terms energy: -980.698060 where: bonds (distance) C4'-P energy: -176.024 bonds (distance) P-C4' energy: -178.676 flat angles C4'-P-C4' energy: -205.619 flat angles P-C4'-P energy: -129.366 tors. eta vs tors. theta energy: -291.014 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: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -3573.333181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3573.333181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3573.333181 (E_RNA) where: Base-Base interactions energy: -2592.490 where: short stacking energy: -1027.878 Base-Backbone interact. energy: -3.895 local terms energy: -976.948489 where: bonds (distance) C4'-P energy: -173.493 bonds (distance) P-C4' energy: -151.686 flat angles C4'-P-C4' energy: -219.340 flat angles P-C4'-P energy: -141.423 tors. eta vs tors. theta energy: -291.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -3512.905966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3512.905966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3512.905966 (E_RNA) where: Base-Base interactions energy: -2582.934 where: short stacking energy: -1008.210 Base-Backbone interact. energy: -0.107 local terms energy: -929.864646 where: bonds (distance) C4'-P energy: -164.331 bonds (distance) P-C4' energy: -164.776 flat angles C4'-P-C4' energy: -196.613 flat angles P-C4'-P energy: -129.442 tors. eta vs tors. theta energy: -274.702 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: 10 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -3389.614908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3389.614908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3389.614908 (E_RNA) where: Base-Base interactions energy: -2467.645 where: short stacking energy: -942.337 Base-Backbone interact. energy: 3.573 local terms energy: -925.543174 where: bonds (distance) C4'-P energy: -166.272 bonds (distance) P-C4' energy: -157.437 flat angles C4'-P-C4' energy: -204.459 flat angles P-C4'-P energy: -126.267 tors. eta vs tors. theta energy: -271.107 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: 6, replica: 7 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -3202.608693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.608693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.608693 (E_RNA) where: Base-Base interactions energy: -2307.755 where: short stacking energy: -918.086 Base-Backbone interact. energy: -1.009 local terms energy: -893.845138 where: bonds (distance) C4'-P energy: -155.226 bonds (distance) P-C4' energy: -154.650 flat angles C4'-P-C4' energy: -204.723 flat angles P-C4'-P energy: -119.988 tors. eta vs tors. theta energy: -259.259 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: 149 Temperature: 1.200000 Total energy: -3033.415471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.415471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.415471 (E_RNA) where: Base-Base interactions energy: -2174.297 where: short stacking energy: -847.754 Base-Backbone interact. energy: -3.484 local terms energy: -855.634212 where: bonds (distance) C4'-P energy: -172.643 bonds (distance) P-C4' energy: -147.822 flat angles C4'-P-C4' energy: -192.862 flat angles P-C4'-P energy: -117.513 tors. eta vs tors. theta energy: -224.795 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: 149 Temperature: 1.250000 Total energy: -2808.424080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.424080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.424080 (E_RNA) where: Base-Base interactions energy: -2002.133 where: short stacking energy: -802.401 Base-Backbone interact. energy: 1.087 local terms energy: -807.377216 where: bonds (distance) C4'-P energy: -139.860 bonds (distance) P-C4' energy: -167.118 flat angles C4'-P-C4' energy: -174.819 flat angles P-C4'-P energy: -108.050 tors. eta vs tors. theta energy: -217.530 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: 9, replica: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -2849.898950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.898950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.898950 (E_RNA) where: Base-Base interactions energy: -1992.448 where: short stacking energy: -778.990 Base-Backbone interact. energy: -5.493 local terms energy: -851.958069 where: bonds (distance) C4'-P energy: -152.503 bonds (distance) P-C4' energy: -159.231 flat angles C4'-P-C4' energy: -190.041 flat angles P-C4'-P energy: -129.009 tors. eta vs tors. theta energy: -221.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -2385.397087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.397087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.397087 (E_RNA) where: Base-Base interactions energy: -1657.669 where: short stacking energy: -674.524 Base-Backbone interact. energy: 1.193 local terms energy: -728.921435 where: bonds (distance) C4'-P energy: -149.788 bonds (distance) P-C4' energy: -151.120 flat angles C4'-P-C4' energy: -177.067 flat angles P-C4'-P energy: -82.961 tors. eta vs tors. theta energy: -167.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -3768.919149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3768.919149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3768.919149 (E_RNA) where: Base-Base interactions energy: -2727.120 where: short stacking energy: -1036.032 Base-Backbone interact. energy: -3.767 local terms energy: -1038.031692 where: bonds (distance) C4'-P energy: -179.172 bonds (distance) P-C4' energy: -173.984 flat angles C4'-P-C4' energy: -228.096 flat angles P-C4'-P energy: -157.328 tors. eta vs tors. theta energy: -299.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -3648.595484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3648.595484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3648.595484 (E_RNA) where: Base-Base interactions energy: -2630.372 where: short stacking energy: -1007.879 Base-Backbone interact. energy: -0.461 local terms energy: -1017.763421 where: bonds (distance) C4'-P energy: -173.943 bonds (distance) P-C4' energy: -192.331 flat angles C4'-P-C4' energy: -206.517 flat angles P-C4'-P energy: -153.745 tors. eta vs tors. theta energy: -291.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -3556.570178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3556.570178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3556.570178 (E_RNA) where: Base-Base interactions energy: -2592.256 where: short stacking energy: -1005.591 Base-Backbone interact. energy: -5.597 local terms energy: -958.716517 where: bonds (distance) C4'-P energy: -164.056 bonds (distance) P-C4' energy: -154.532 flat angles C4'-P-C4' energy: -204.894 flat angles P-C4'-P energy: -149.313 tors. eta vs tors. theta energy: -285.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -3563.386404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3563.386404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3563.386404 (E_RNA) where: Base-Base interactions energy: -2593.245 where: short stacking energy: -1008.562 Base-Backbone interact. energy: -2.289 local terms energy: -967.853258 where: bonds (distance) C4'-P energy: -142.141 bonds (distance) P-C4' energy: -178.435 flat angles C4'-P-C4' energy: -217.223 flat angles P-C4'-P energy: -140.847 tors. eta vs tors. theta energy: -289.206 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: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -3381.607892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3381.607892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3381.607892 (E_RNA) where: Base-Base interactions energy: -2480.292 where: short stacking energy: -969.496 Base-Backbone interact. energy: -2.071 local terms energy: -899.245069 where: bonds (distance) C4'-P energy: -177.285 bonds (distance) P-C4' energy: -147.425 flat angles C4'-P-C4' energy: -192.883 flat angles P-C4'-P energy: -113.018 tors. eta vs tors. theta energy: -268.634 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: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -3198.257487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.257487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.257487 (E_RNA) where: Base-Base interactions energy: -2297.957 where: short stacking energy: -924.732 Base-Backbone interact. energy: -2.181 local terms energy: -898.120063 where: bonds (distance) C4'-P energy: -163.202 bonds (distance) P-C4' energy: -165.013 flat angles C4'-P-C4' energy: -177.367 flat angles P-C4'-P energy: -124.288 tors. eta vs tors. theta energy: -268.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -3014.247149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.247149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.247149 (E_RNA) where: Base-Base interactions energy: -2154.572 where: short stacking energy: -837.890 Base-Backbone interact. energy: -2.793 local terms energy: -856.881580 where: bonds (distance) C4'-P energy: -153.205 bonds (distance) P-C4' energy: -160.935 flat angles C4'-P-C4' energy: -183.849 flat angles P-C4'-P energy: -118.417 tors. eta vs tors. theta energy: -240.476 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: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -2767.346035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.346035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.346035 (E_RNA) where: Base-Base interactions energy: -1978.888 where: short stacking energy: -759.712 Base-Backbone interact. energy: 1.401 local terms energy: -789.859813 where: bonds (distance) C4'-P energy: -149.465 bonds (distance) P-C4' energy: -149.771 flat angles C4'-P-C4' energy: -192.778 flat angles P-C4'-P energy: -104.268 tors. eta vs tors. theta energy: -193.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -2730.378159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.378159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.378159 (E_RNA) where: Base-Base interactions energy: -1914.877 where: short stacking energy: -763.314 Base-Backbone interact. energy: 1.793 local terms energy: -817.293502 where: bonds (distance) C4'-P energy: -148.699 bonds (distance) P-C4' energy: -168.495 flat angles C4'-P-C4' energy: -176.373 flat angles P-C4'-P energy: -109.064 tors. eta vs tors. theta energy: -214.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -2416.645241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.645241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.645241 (E_RNA) where: Base-Base interactions energy: -1689.735 where: short stacking energy: -663.689 Base-Backbone interact. energy: 6.387 local terms energy: -733.297453 where: bonds (distance) C4'-P energy: -145.289 bonds (distance) P-C4' energy: -149.794 flat angles C4'-P-C4' energy: -180.245 flat angles P-C4'-P energy: -87.819 tors. eta vs tors. theta energy: -170.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3807.060387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3807.060387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3807.060387 (E_RNA) where: Base-Base interactions energy: -2756.582 where: short stacking energy: -1069.599 Base-Backbone interact. energy: -2.533 local terms energy: -1047.945432 where: bonds (distance) C4'-P energy: -166.280 bonds (distance) P-C4' energy: -192.646 flat angles C4'-P-C4' energy: -229.457 flat angles P-C4'-P energy: -145.638 tors. eta vs tors. theta energy: -313.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -3651.886939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3651.886939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3651.886939 (E_RNA) where: Base-Base interactions energy: -2636.870 where: short stacking energy: -1016.825 Base-Backbone interact. energy: 0.371 local terms energy: -1015.388341 where: bonds (distance) C4'-P energy: -185.754 bonds (distance) P-C4' energy: -183.289 flat angles C4'-P-C4' energy: -213.826 flat angles P-C4'-P energy: -140.685 tors. eta vs tors. theta energy: -291.834 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: 3, replica: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -3532.085433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3532.085433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3532.085433 (E_RNA) where: Base-Base interactions energy: -2539.721 where: short stacking energy: -984.478 Base-Backbone interact. energy: -0.099 local terms energy: -992.265573 where: bonds (distance) C4'-P energy: -184.496 bonds (distance) P-C4' energy: -184.233 flat angles C4'-P-C4' energy: -198.597 flat angles P-C4'-P energy: -140.399 tors. eta vs tors. theta energy: -284.541 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: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -3520.052654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3520.052654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3520.052654 (E_RNA) where: Base-Base interactions energy: -2561.137 where: short stacking energy: -980.620 Base-Backbone interact. energy: 0.260 local terms energy: -959.176219 where: bonds (distance) C4'-P energy: -145.389 bonds (distance) P-C4' energy: -186.257 flat angles C4'-P-C4' energy: -215.078 flat angles P-C4'-P energy: -139.342 tors. eta vs tors. theta energy: -273.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -3368.796587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.796587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.796587 (E_RNA) where: Base-Base interactions energy: -2460.614 where: short stacking energy: -940.090 Base-Backbone interact. energy: 1.718 local terms energy: -909.900641 where: bonds (distance) C4'-P energy: -147.214 bonds (distance) P-C4' energy: -168.009 flat angles C4'-P-C4' energy: -204.244 flat angles P-C4'-P energy: -119.920 tors. eta vs tors. theta energy: -270.513 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: 7 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -3200.148478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.148478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.148478 (E_RNA) where: Base-Base interactions energy: -2303.211 where: short stacking energy: -926.758 Base-Backbone interact. energy: -0.857 local terms energy: -896.080734 where: bonds (distance) C4'-P energy: -153.267 bonds (distance) P-C4' energy: -164.433 flat angles C4'-P-C4' energy: -189.998 flat angles P-C4'-P energy: -124.938 tors. eta vs tors. theta energy: -263.444 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: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -3032.736636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.736636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.736636 (E_RNA) where: Base-Base interactions energy: -2182.880 where: short stacking energy: -856.301 Base-Backbone interact. energy: 7.594 local terms energy: -857.450350 where: bonds (distance) C4'-P energy: -149.556 bonds (distance) P-C4' energy: -137.625 flat angles C4'-P-C4' energy: -192.260 flat angles P-C4'-P energy: -137.393 tors. eta vs tors. theta energy: -240.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -2855.487697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.487697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.487697 (E_RNA) where: Base-Base interactions energy: -2027.369 where: short stacking energy: -770.076 Base-Backbone interact. energy: -1.062 local terms energy: -827.057265 where: bonds (distance) C4'-P energy: -151.850 bonds (distance) P-C4' energy: -166.816 flat angles C4'-P-C4' energy: -174.132 flat angles P-C4'-P energy: -119.430 tors. eta vs tors. theta energy: -214.829 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: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -2747.259907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.259907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.259907 (E_RNA) where: Base-Base interactions energy: -1933.378 where: short stacking energy: -763.139 Base-Backbone interact. energy: -1.395 local terms energy: -812.486400 where: bonds (distance) C4'-P energy: -143.768 bonds (distance) P-C4' energy: -156.411 flat angles C4'-P-C4' energy: -179.931 flat angles P-C4'-P energy: -118.547 tors. eta vs tors. theta energy: -213.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -2358.466903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.466903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.466903 (E_RNA) where: Base-Base interactions energy: -1640.590 where: short stacking energy: -646.900 Base-Backbone interact. energy: 0.502 local terms energy: -718.378420 where: bonds (distance) C4'-P energy: -146.745 bonds (distance) P-C4' energy: -139.459 flat angles C4'-P-C4' energy: -162.990 flat angles P-C4'-P energy: -98.180 tors. eta vs tors. theta energy: -171.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3789.299467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3789.299467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3789.299467 (E_RNA) where: Base-Base interactions energy: -2723.388 where: short stacking energy: -1072.224 Base-Backbone interact. energy: 0.863 local terms energy: -1066.774141 where: bonds (distance) C4'-P energy: -177.385 bonds (distance) P-C4' energy: -203.691 flat angles C4'-P-C4' energy: -219.036 flat angles P-C4'-P energy: -157.145 tors. eta vs tors. theta energy: -309.517 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: 152 Temperature: 0.950000 Total energy: -3672.093582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3672.093582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3672.093582 (E_RNA) where: Base-Base interactions energy: -2670.075 where: short stacking energy: -1022.886 Base-Backbone interact. energy: 0.461 local terms energy: -1002.479397 where: bonds (distance) C4'-P energy: -172.076 bonds (distance) P-C4' energy: -174.045 flat angles C4'-P-C4' energy: -215.009 flat angles P-C4'-P energy: -145.702 tors. eta vs tors. theta energy: -295.647 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: 3, replica: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -3602.126225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3602.126225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3602.126225 (E_RNA) where: Base-Base interactions energy: -2592.309 where: short stacking energy: -1007.985 Base-Backbone interact. energy: -1.768 local terms energy: -1008.048858 where: bonds (distance) C4'-P energy: -174.018 bonds (distance) P-C4' energy: -179.708 flat angles C4'-P-C4' energy: -210.465 flat angles P-C4'-P energy: -153.035 tors. eta vs tors. theta energy: -290.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -3478.637997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3478.637997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3478.637997 (E_RNA) where: Base-Base interactions energy: -2479.657 where: short stacking energy: -991.791 Base-Backbone interact. energy: -0.215 local terms energy: -998.765964 where: bonds (distance) C4'-P energy: -181.194 bonds (distance) P-C4' energy: -183.218 flat angles C4'-P-C4' energy: -210.508 flat angles P-C4'-P energy: -142.215 tors. eta vs tors. theta energy: -281.631 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: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -3356.016703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3356.016703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3356.016703 (E_RNA) where: Base-Base interactions energy: -2417.199 where: short stacking energy: -920.534 Base-Backbone interact. energy: 3.390 local terms energy: -942.208254 where: bonds (distance) C4'-P energy: -153.033 bonds (distance) P-C4' energy: -190.394 flat angles C4'-P-C4' energy: -197.901 flat angles P-C4'-P energy: -129.097 tors. eta vs tors. theta energy: -271.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -3194.422987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.422987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.422987 (E_RNA) where: Base-Base interactions energy: -2307.283 where: short stacking energy: -901.098 Base-Backbone interact. energy: 0.561 local terms energy: -887.701036 where: bonds (distance) C4'-P energy: -135.817 bonds (distance) P-C4' energy: -166.736 flat angles C4'-P-C4' energy: -198.948 flat angles P-C4'-P energy: -123.168 tors. eta vs tors. theta energy: -263.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -3102.390402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.390402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.390402 (E_RNA) where: Base-Base interactions energy: -2242.894 where: short stacking energy: -873.477 Base-Backbone interact. energy: 7.146 local terms energy: -866.642560 where: bonds (distance) C4'-P energy: -153.871 bonds (distance) P-C4' energy: -166.452 flat angles C4'-P-C4' energy: -190.781 flat angles P-C4'-P energy: -118.095 tors. eta vs tors. theta energy: -237.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -2846.494492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.494492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.494492 (E_RNA) where: Base-Base interactions energy: -2059.597 where: short stacking energy: -786.501 Base-Backbone interact. energy: 2.182 local terms energy: -789.079690 where: bonds (distance) C4'-P energy: -131.655 bonds (distance) P-C4' energy: -139.316 flat angles C4'-P-C4' energy: -175.474 flat angles P-C4'-P energy: -122.382 tors. eta vs tors. theta energy: -220.254 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: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -2798.490798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.490798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.490798 (E_RNA) where: Base-Base interactions energy: -2028.366 where: short stacking energy: -804.034 Base-Backbone interact. energy: 1.731 local terms energy: -771.855917 where: bonds (distance) C4'-P energy: -122.359 bonds (distance) P-C4' energy: -137.366 flat angles C4'-P-C4' energy: -179.020 flat angles P-C4'-P energy: -102.375 tors. eta vs tors. theta energy: -230.736 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: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -2328.859557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.859557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.859557 (E_RNA) where: Base-Base interactions energy: -1642.946 where: short stacking energy: -684.259 Base-Backbone interact. energy: 1.417 local terms energy: -687.331125 where: bonds (distance) C4'-P energy: -132.877 bonds (distance) P-C4' energy: -142.749 flat angles C4'-P-C4' energy: -139.223 flat angles P-C4'-P energy: -102.969 tors. eta vs tors. theta energy: -169.514 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: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -3815.993890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3815.993890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3815.993890 (E_RNA) where: Base-Base interactions energy: -2759.336 where: short stacking energy: -1068.381 Base-Backbone interact. energy: -1.570 local terms energy: -1055.087543 where: bonds (distance) C4'-P energy: -187.116 bonds (distance) P-C4' energy: -191.168 flat angles C4'-P-C4' energy: -219.826 flat angles P-C4'-P energy: -148.384 tors. eta vs tors. theta energy: -308.594 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: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -3661.625350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3661.625350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3661.625350 (E_RNA) where: Base-Base interactions energy: -2656.806 where: short stacking energy: -1021.983 Base-Backbone interact. energy: -2.811 local terms energy: -1002.008307 where: bonds (distance) C4'-P energy: -180.605 bonds (distance) P-C4' energy: -184.284 flat angles C4'-P-C4' energy: -204.678 flat angles P-C4'-P energy: -140.114 tors. eta vs tors. theta energy: -292.327 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: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -3605.969048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3605.969048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3605.969048 (E_RNA) where: Base-Base interactions energy: -2585.133 where: short stacking energy: -1034.421 Base-Backbone interact. energy: -2.681 local terms energy: -1018.155106 where: bonds (distance) C4'-P energy: -176.836 bonds (distance) P-C4' energy: -173.383 flat angles C4'-P-C4' energy: -209.509 flat angles P-C4'-P energy: -148.749 tors. eta vs tors. theta energy: -309.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -3497.446765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3497.446765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3497.446765 (E_RNA) where: Base-Base interactions energy: -2535.153 where: short stacking energy: -999.725 Base-Backbone interact. energy: 0.385 local terms energy: -962.679544 where: bonds (distance) C4'-P energy: -167.570 bonds (distance) P-C4' energy: -161.015 flat angles C4'-P-C4' energy: -200.153 flat angles P-C4'-P energy: -153.715 tors. eta vs tors. theta energy: -280.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -3332.155063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.155063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.155063 (E_RNA) where: Base-Base interactions energy: -2439.617 where: short stacking energy: -938.678 Base-Backbone interact. energy: 0.892 local terms energy: -893.430144 where: bonds (distance) C4'-P energy: -146.655 bonds (distance) P-C4' energy: -169.042 flat angles C4'-P-C4' energy: -201.346 flat angles P-C4'-P energy: -111.999 tors. eta vs tors. theta energy: -264.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -3252.371498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.371498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.371498 (E_RNA) where: Base-Base interactions energy: -2337.203 where: short stacking energy: -928.873 Base-Backbone interact. energy: -2.882 local terms energy: -912.285978 where: bonds (distance) C4'-P energy: -139.104 bonds (distance) P-C4' energy: -160.209 flat angles C4'-P-C4' energy: -207.957 flat angles P-C4'-P energy: -124.115 tors. eta vs tors. theta energy: -280.902 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: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -3091.061279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.061279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.061279 (E_RNA) where: Base-Base interactions energy: -2217.952 where: short stacking energy: -848.355 Base-Backbone interact. energy: -1.062 local terms energy: -872.047020 where: bonds (distance) C4'-P energy: -155.226 bonds (distance) P-C4' energy: -156.527 flat angles C4'-P-C4' energy: -194.831 flat angles P-C4'-P energy: -123.314 tors. eta vs tors. theta energy: -242.149 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: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -2816.206029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.206029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.206029 (E_RNA) where: Base-Base interactions energy: -2026.606 where: short stacking energy: -792.785 Base-Backbone interact. energy: 10.014 local terms energy: -799.613633 where: bonds (distance) C4'-P energy: -138.651 bonds (distance) P-C4' energy: -150.936 flat angles C4'-P-C4' energy: -171.383 flat angles P-C4'-P energy: -126.184 tors. eta vs tors. theta energy: -212.461 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: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -2772.809762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.809762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.809762 (E_RNA) where: Base-Base interactions energy: -1994.814 where: short stacking energy: -797.227 Base-Backbone interact. energy: 1.617 local terms energy: -779.612968 where: bonds (distance) C4'-P energy: -133.980 bonds (distance) P-C4' energy: -145.270 flat angles C4'-P-C4' energy: -168.288 flat angles P-C4'-P energy: -117.143 tors. eta vs tors. theta energy: -214.933 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: 10, replica: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -2356.045174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.045174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.045174 (E_RNA) where: Base-Base interactions energy: -1656.887 where: short stacking energy: -675.022 Base-Backbone interact. energy: 2.726 local terms energy: -701.884230 where: bonds (distance) C4'-P energy: -132.634 bonds (distance) P-C4' energy: -141.801 flat angles C4'-P-C4' energy: -155.294 flat angles P-C4'-P energy: -98.801 tors. eta vs tors. theta energy: -173.354 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: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3787.205412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3787.205412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3787.205412 (E_RNA) where: Base-Base interactions energy: -2718.498 where: short stacking energy: -1074.649 Base-Backbone interact. energy: -4.226 local terms energy: -1064.481876 where: bonds (distance) C4'-P energy: -177.447 bonds (distance) P-C4' energy: -206.275 flat angles C4'-P-C4' energy: -218.980 flat angles P-C4'-P energy: -147.207 tors. eta vs tors. theta energy: -314.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -3667.046608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3667.046608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3667.046608 (E_RNA) where: Base-Base interactions energy: -2657.522 where: short stacking energy: -1032.468 Base-Backbone interact. energy: -2.237 local terms energy: -1007.287407 where: bonds (distance) C4'-P energy: -184.455 bonds (distance) P-C4' energy: -183.408 flat angles C4'-P-C4' energy: -208.121 flat angles P-C4'-P energy: -132.820 tors. eta vs tors. theta energy: -298.484 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: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -3582.733280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.733280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.733280 (E_RNA) where: Base-Base interactions energy: -2593.631 where: short stacking energy: -1031.883 Base-Backbone interact. energy: -2.241 local terms energy: -986.861454 where: bonds (distance) C4'-P energy: -175.052 bonds (distance) P-C4' energy: -173.131 flat angles C4'-P-C4' energy: -207.929 flat angles P-C4'-P energy: -130.580 tors. eta vs tors. theta energy: -300.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -3544.746950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3544.746950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3544.746950 (E_RNA) where: Base-Base interactions energy: -2572.588 where: short stacking energy: -1000.784 Base-Backbone interact. energy: -2.671 local terms energy: -969.487703 where: bonds (distance) C4'-P energy: -168.520 bonds (distance) P-C4' energy: -178.705 flat angles C4'-P-C4' energy: -202.645 flat angles P-C4'-P energy: -136.522 tors. eta vs tors. theta energy: -283.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -3338.542541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3338.542541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3338.542541 (E_RNA) where: Base-Base interactions energy: -2439.673 where: short stacking energy: -924.268 Base-Backbone interact. energy: 0.869 local terms energy: -899.738410 where: bonds (distance) C4'-P energy: -160.919 bonds (distance) P-C4' energy: -153.616 flat angles C4'-P-C4' energy: -181.903 flat angles P-C4'-P energy: -124.659 tors. eta vs tors. theta energy: -278.642 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: 7 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -3253.047740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.047740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.047740 (E_RNA) where: Base-Base interactions energy: -2369.077 where: short stacking energy: -936.738 Base-Backbone interact. energy: -1.141 local terms energy: -882.829741 where: bonds (distance) C4'-P energy: -146.982 bonds (distance) P-C4' energy: -145.864 flat angles C4'-P-C4' energy: -192.109 flat angles P-C4'-P energy: -127.754 tors. eta vs tors. theta energy: -270.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -3050.123345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.123345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.123345 (E_RNA) where: Base-Base interactions energy: -2168.004 where: short stacking energy: -853.959 Base-Backbone interact. energy: 1.301 local terms energy: -883.421085 where: bonds (distance) C4'-P energy: -138.033 bonds (distance) P-C4' energy: -173.220 flat angles C4'-P-C4' energy: -193.269 flat angles P-C4'-P energy: -129.374 tors. eta vs tors. theta energy: -249.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -2778.489441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.489441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.489441 (E_RNA) where: Base-Base interactions energy: -1993.918 where: short stacking energy: -798.603 Base-Backbone interact. energy: -0.047 local terms energy: -784.524613 where: bonds (distance) C4'-P energy: -139.664 bonds (distance) P-C4' energy: -150.866 flat angles C4'-P-C4' energy: -176.672 flat angles P-C4'-P energy: -103.913 tors. eta vs tors. theta energy: -213.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -2776.638591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.638591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.638591 (E_RNA) where: Base-Base interactions energy: -2009.204 where: short stacking energy: -787.272 Base-Backbone interact. energy: -2.640 local terms energy: -764.794864 where: bonds (distance) C4'-P energy: -133.078 bonds (distance) P-C4' energy: -127.073 flat angles C4'-P-C4' energy: -182.242 flat angles P-C4'-P energy: -114.079 tors. eta vs tors. theta energy: -208.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -2416.258581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.258581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.258581 (E_RNA) where: Base-Base interactions energy: -1686.273 where: short stacking energy: -668.746 Base-Backbone interact. energy: -1.047 local terms energy: -728.938767 where: bonds (distance) C4'-P energy: -139.158 bonds (distance) P-C4' energy: -175.037 flat angles C4'-P-C4' energy: -151.714 flat angles P-C4'-P energy: -84.364 tors. eta vs tors. theta energy: -178.666 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: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3803.507776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3803.507776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3803.507776 (E_RNA) where: Base-Base interactions energy: -2749.456 where: short stacking energy: -1066.531 Base-Backbone interact. energy: -1.936 local terms energy: -1052.115796 where: bonds (distance) C4'-P energy: -186.804 bonds (distance) P-C4' energy: -197.442 flat angles C4'-P-C4' energy: -222.965 flat angles P-C4'-P energy: -141.483 tors. eta vs tors. theta energy: -303.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -3690.054195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3690.054195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3690.054195 (E_RNA) where: Base-Base interactions energy: -2671.138 where: short stacking energy: -1033.260 Base-Backbone interact. energy: -1.793 local terms energy: -1017.122677 where: bonds (distance) C4'-P energy: -171.112 bonds (distance) P-C4' energy: -187.118 flat angles C4'-P-C4' energy: -211.834 flat angles P-C4'-P energy: -153.142 tors. eta vs tors. theta energy: -293.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -3538.242887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3538.242887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3538.242887 (E_RNA) where: Base-Base interactions energy: -2548.087 where: short stacking energy: -1004.333 Base-Backbone interact. energy: -1.880 local terms energy: -988.276397 where: bonds (distance) C4'-P energy: -175.819 bonds (distance) P-C4' energy: -172.722 flat angles C4'-P-C4' energy: -211.325 flat angles P-C4'-P energy: -143.553 tors. eta vs tors. theta energy: -284.858 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: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -3512.568239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3512.568239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3512.568239 (E_RNA) where: Base-Base interactions energy: -2547.907 where: short stacking energy: -988.272 Base-Backbone interact. energy: 3.615 local terms energy: -968.276479 where: bonds (distance) C4'-P energy: -164.172 bonds (distance) P-C4' energy: -181.016 flat angles C4'-P-C4' energy: -190.286 flat angles P-C4'-P energy: -145.496 tors. eta vs tors. theta energy: -287.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -3299.401952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.401952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.401952 (E_RNA) where: Base-Base interactions energy: -2377.955 where: short stacking energy: -931.152 Base-Backbone interact. energy: 2.152 local terms energy: -923.599212 where: bonds (distance) C4'-P energy: -169.243 bonds (distance) P-C4' energy: -189.483 flat angles C4'-P-C4' energy: -198.067 flat angles P-C4'-P energy: -106.167 tors. eta vs tors. theta energy: -260.639 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: 155 Temperature: 1.150000 Total energy: -3224.528341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.528341 (E_RNA) where: Base-Base interactions energy: -2313.634 where: short stacking energy: -907.954 Base-Backbone interact. energy: -1.876 local terms energy: -909.018923 where: bonds (distance) C4'-P energy: -160.558 bonds (distance) P-C4' energy: -151.433 flat angles C4'-P-C4' energy: -206.113 flat angles P-C4'-P energy: -124.585 tors. eta vs tors. theta energy: -266.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -3020.986154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.986154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.986154 (E_RNA) where: Base-Base interactions energy: -2188.177 where: short stacking energy: -861.663 Base-Backbone interact. energy: -1.941 local terms energy: -830.868693 where: bonds (distance) C4'-P energy: -140.899 bonds (distance) P-C4' energy: -149.039 flat angles C4'-P-C4' energy: -178.958 flat angles P-C4'-P energy: -119.013 tors. eta vs tors. theta energy: -242.959 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: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -2849.591250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.591250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.591250 (E_RNA) where: Base-Base interactions energy: -2054.261 where: short stacking energy: -787.625 Base-Backbone interact. energy: -0.536 local terms energy: -794.794341 where: bonds (distance) C4'-P energy: -154.047 bonds (distance) P-C4' energy: -150.442 flat angles C4'-P-C4' energy: -186.098 flat angles P-C4'-P energy: -102.246 tors. eta vs tors. theta energy: -201.962 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: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -2737.432758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.432758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.432758 (E_RNA) where: Base-Base interactions energy: -1988.233 where: short stacking energy: -779.291 Base-Backbone interact. energy: -1.694 local terms energy: -747.506352 where: bonds (distance) C4'-P energy: -128.055 bonds (distance) P-C4' energy: -155.818 flat angles C4'-P-C4' energy: -156.137 flat angles P-C4'-P energy: -95.625 tors. eta vs tors. theta energy: -211.872 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: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -2400.433244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.433244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.433244 (E_RNA) where: Base-Base interactions energy: -1725.184 where: short stacking energy: -687.020 Base-Backbone interact. energy: -0.520 local terms energy: -674.729817 where: bonds (distance) C4'-P energy: -140.459 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -160.636 flat angles P-C4'-P energy: -81.619 tors. eta vs tors. theta energy: -163.551 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: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3799.255607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3799.255607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3799.255607 (E_RNA) where: Base-Base interactions energy: -2767.415 where: short stacking energy: -1072.415 Base-Backbone interact. energy: 1.371 local terms energy: -1033.211581 where: bonds (distance) C4'-P energy: -187.513 bonds (distance) P-C4' energy: -185.201 flat angles C4'-P-C4' energy: -210.232 flat angles P-C4'-P energy: -147.152 tors. eta vs tors. theta energy: -303.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -3656.109318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.109318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.109318 (E_RNA) where: Base-Base interactions energy: -2642.602 where: short stacking energy: -1017.531 Base-Backbone interact. energy: 1.279 local terms energy: -1014.786165 where: bonds (distance) C4'-P energy: -161.084 bonds (distance) P-C4' energy: -191.133 flat angles C4'-P-C4' energy: -219.224 flat angles P-C4'-P energy: -146.168 tors. eta vs tors. theta energy: -297.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -3566.390515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.390515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.390515 (E_RNA) where: Base-Base interactions energy: -2551.989 where: short stacking energy: -1013.135 Base-Backbone interact. energy: 1.699 local terms energy: -1016.100416 where: bonds (distance) C4'-P energy: -182.317 bonds (distance) P-C4' energy: -183.360 flat angles C4'-P-C4' energy: -206.782 flat angles P-C4'-P energy: -151.859 tors. eta vs tors. theta energy: -291.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -3513.707873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3513.707873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3513.707873 (E_RNA) where: Base-Base interactions energy: -2530.078 where: short stacking energy: -994.720 Base-Backbone interact. energy: 1.446 local terms energy: -985.076669 where: bonds (distance) C4'-P energy: -181.465 bonds (distance) P-C4' energy: -173.704 flat angles C4'-P-C4' energy: -204.302 flat angles P-C4'-P energy: -136.271 tors. eta vs tors. theta energy: -289.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -3286.649315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3286.649315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3286.649315 (E_RNA) where: Base-Base interactions energy: -2356.692 where: short stacking energy: -949.319 Base-Backbone interact. energy: -1.054 local terms energy: -928.903465 where: bonds (distance) C4'-P energy: -159.430 bonds (distance) P-C4' energy: -159.070 flat angles C4'-P-C4' energy: -193.287 flat angles P-C4'-P energy: -143.294 tors. eta vs tors. theta energy: -273.824 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: 10 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -3283.954359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.954359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.954359 (E_RNA) where: Base-Base interactions energy: -2392.072 where: short stacking energy: -926.548 Base-Backbone interact. energy: 3.665 local terms energy: -895.546878 where: bonds (distance) C4'-P energy: -150.737 bonds (distance) P-C4' energy: -162.554 flat angles C4'-P-C4' energy: -186.821 flat angles P-C4'-P energy: -144.104 tors. eta vs tors. theta energy: -251.331 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: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -3026.218106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.218106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.218106 (E_RNA) where: Base-Base interactions energy: -2201.782 where: short stacking energy: -854.352 Base-Backbone interact. energy: -2.687 local terms energy: -821.749057 where: bonds (distance) C4'-P energy: -120.043 bonds (distance) P-C4' energy: -148.308 flat angles C4'-P-C4' energy: -193.852 flat angles P-C4'-P energy: -113.997 tors. eta vs tors. theta energy: -245.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -2809.119706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.119706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.119706 (E_RNA) where: Base-Base interactions energy: -2062.850 where: short stacking energy: -786.482 Base-Backbone interact. energy: 0.256 local terms energy: -746.525959 where: bonds (distance) C4'-P energy: -134.886 bonds (distance) P-C4' energy: -137.687 flat angles C4'-P-C4' energy: -168.167 flat angles P-C4'-P energy: -91.868 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: 9, replica: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -2680.054770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.054770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.054770 (E_RNA) where: Base-Base interactions energy: -1926.292 where: short stacking energy: -743.131 Base-Backbone interact. energy: 1.637 local terms energy: -755.399970 where: bonds (distance) C4'-P energy: -134.663 bonds (distance) P-C4' energy: -145.761 flat angles C4'-P-C4' energy: -177.962 flat angles P-C4'-P energy: -97.356 tors. eta vs tors. theta energy: -199.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -2419.261331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.261331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.261331 (E_RNA) where: Base-Base interactions energy: -1676.367 where: short stacking energy: -666.722 Base-Backbone interact. energy: 0.284 local terms energy: -743.178555 where: bonds (distance) C4'-P energy: -140.306 bonds (distance) P-C4' energy: -156.136 flat angles C4'-P-C4' energy: -168.001 flat angles P-C4'-P energy: -101.432 tors. eta vs tors. theta energy: -177.304 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: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3817.705904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.705904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.705904 (E_RNA) where: Base-Base interactions energy: -2789.971 where: short stacking energy: -1058.775 Base-Backbone interact. energy: -1.034 local terms energy: -1026.700767 where: bonds (distance) C4'-P energy: -164.587 bonds (distance) P-C4' energy: -182.714 flat angles C4'-P-C4' energy: -227.586 flat angles P-C4'-P energy: -141.774 tors. eta vs tors. theta energy: -310.039 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: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -3652.175104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3652.175104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3652.175104 (E_RNA) where: Base-Base interactions energy: -2653.846 where: short stacking energy: -1039.579 Base-Backbone interact. energy: -1.132 local terms energy: -997.196753 where: bonds (distance) C4'-P energy: -181.900 bonds (distance) P-C4' energy: -169.209 flat angles C4'-P-C4' energy: -208.155 flat angles P-C4'-P energy: -139.053 tors. eta vs tors. theta energy: -298.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -3593.926125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3593.926125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3593.926125 (E_RNA) where: Base-Base interactions energy: -2596.158 where: short stacking energy: -1038.956 Base-Backbone interact. energy: -2.067 local terms energy: -995.700564 where: bonds (distance) C4'-P energy: -174.741 bonds (distance) P-C4' energy: -164.268 flat angles C4'-P-C4' energy: -223.000 flat angles P-C4'-P energy: -132.951 tors. eta vs tors. theta energy: -300.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -3540.618916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3540.618916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3540.618916 (E_RNA) where: Base-Base interactions energy: -2576.143 where: short stacking energy: -1009.993 Base-Backbone interact. energy: 2.837 local terms energy: -967.312847 where: bonds (distance) C4'-P energy: -180.022 bonds (distance) P-C4' energy: -174.014 flat angles C4'-P-C4' energy: -198.846 flat angles P-C4'-P energy: -122.063 tors. eta vs tors. theta energy: -292.368 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: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -3319.695981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.695981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.695981 (E_RNA) where: Base-Base interactions energy: -2397.446 where: short stacking energy: -938.465 Base-Backbone interact. energy: -0.298 local terms energy: -921.951401 where: bonds (distance) C4'-P energy: -166.122 bonds (distance) P-C4' energy: -162.883 flat angles C4'-P-C4' energy: -189.014 flat angles P-C4'-P energy: -126.050 tors. eta vs tors. theta energy: -277.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -3255.128990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.128990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.128990 (E_RNA) where: Base-Base interactions energy: -2388.956 where: short stacking energy: -915.846 Base-Backbone interact. energy: 1.893 local terms energy: -868.066404 where: bonds (distance) C4'-P energy: -132.376 bonds (distance) P-C4' energy: -141.713 flat angles C4'-P-C4' energy: -195.602 flat angles P-C4'-P energy: -126.059 tors. eta vs tors. theta energy: -272.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -3097.588658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.588658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.588658 (E_RNA) where: Base-Base interactions energy: -2210.226 where: short stacking energy: -863.095 Base-Backbone interact. energy: -2.134 local terms energy: -885.229013 where: bonds (distance) C4'-P energy: -150.235 bonds (distance) P-C4' energy: -167.666 flat angles C4'-P-C4' energy: -184.207 flat angles P-C4'-P energy: -129.749 tors. eta vs tors. theta energy: -253.372 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: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -2785.262840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.262840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.262840 (E_RNA) where: Base-Base interactions energy: -1997.897 where: short stacking energy: -809.631 Base-Backbone interact. energy: 0.102 local terms energy: -787.467873 where: bonds (distance) C4'-P energy: -146.450 bonds (distance) P-C4' energy: -146.366 flat angles C4'-P-C4' energy: -173.050 flat angles P-C4'-P energy: -104.527 tors. eta vs tors. theta energy: -217.074 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: 157 Temperature: 1.300000 Total energy: -2752.792253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.792253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.792253 (E_RNA) where: Base-Base interactions energy: -2001.048 where: short stacking energy: -766.585 Base-Backbone interact. energy: -1.196 local terms energy: -750.548325 where: bonds (distance) C4'-P energy: -138.179 bonds (distance) P-C4' energy: -146.686 flat angles C4'-P-C4' energy: -165.101 flat angles P-C4'-P energy: -90.191 tors. eta vs tors. theta energy: -210.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -2420.674650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.674650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.674650 (E_RNA) where: Base-Base interactions energy: -1736.294 where: short stacking energy: -671.424 Base-Backbone interact. energy: -1.138 local terms energy: -683.242447 where: bonds (distance) C4'-P energy: -124.830 bonds (distance) P-C4' energy: -119.356 flat angles C4'-P-C4' energy: -164.608 flat angles P-C4'-P energy: -102.668 tors. eta vs tors. theta energy: -171.780 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: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3826.856445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3826.856445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3826.856445 (E_RNA) where: Base-Base interactions energy: -2787.735 where: short stacking energy: -1078.840 Base-Backbone interact. energy: -1.689 local terms energy: -1037.432469 where: bonds (distance) C4'-P energy: -183.201 bonds (distance) P-C4' energy: -175.475 flat angles C4'-P-C4' energy: -217.823 flat angles P-C4'-P energy: -148.760 tors. eta vs tors. theta energy: -312.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -3648.920268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3648.920268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3648.920268 (E_RNA) where: Base-Base interactions energy: -2602.615 where: short stacking energy: -1022.028 Base-Backbone interact. energy: -1.819 local terms energy: -1044.486520 where: bonds (distance) C4'-P energy: -183.184 bonds (distance) P-C4' energy: -196.833 flat angles C4'-P-C4' energy: -223.623 flat angles P-C4'-P energy: -140.300 tors. eta vs tors. theta energy: -300.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -3587.242629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3587.242629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3587.242629 (E_RNA) where: Base-Base interactions energy: -2583.244 where: short stacking energy: -1019.713 Base-Backbone interact. energy: -2.563 local terms energy: -1001.435338 where: bonds (distance) C4'-P energy: -173.477 bonds (distance) P-C4' energy: -169.918 flat angles C4'-P-C4' energy: -219.279 flat angles P-C4'-P energy: -147.718 tors. eta vs tors. theta energy: -291.044 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: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -3459.055139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3459.055139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3459.055139 (E_RNA) where: Base-Base interactions energy: -2470.117 where: short stacking energy: -972.020 Base-Backbone interact. energy: -2.102 local terms energy: -986.836243 where: bonds (distance) C4'-P energy: -174.661 bonds (distance) P-C4' energy: -168.889 flat angles C4'-P-C4' energy: -215.561 flat angles P-C4'-P energy: -132.910 tors. eta vs tors. theta energy: -294.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -3312.553064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.553064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.553064 (E_RNA) where: Base-Base interactions energy: -2376.159 where: short stacking energy: -948.238 Base-Backbone interact. energy: 0.836 local terms energy: -937.229887 where: bonds (distance) C4'-P energy: -161.909 bonds (distance) P-C4' energy: -168.175 flat angles C4'-P-C4' energy: -207.548 flat angles P-C4'-P energy: -136.233 tors. eta vs tors. theta energy: -263.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -3257.091122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.091122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.091122 (E_RNA) where: Base-Base interactions energy: -2375.765 where: short stacking energy: -912.910 Base-Backbone interact. energy: 0.634 local terms energy: -881.960650 where: bonds (distance) C4'-P energy: -154.142 bonds (distance) P-C4' energy: -155.550 flat angles C4'-P-C4' energy: -183.538 flat angles P-C4'-P energy: -125.987 tors. eta vs tors. theta energy: -262.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -3075.433127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.433127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.433127 (E_RNA) where: Base-Base interactions energy: -2198.311 where: short stacking energy: -887.358 Base-Backbone interact. energy: 0.339 local terms energy: -877.461853 where: bonds (distance) C4'-P energy: -160.957 bonds (distance) P-C4' energy: -157.468 flat angles C4'-P-C4' energy: -199.318 flat angles P-C4'-P energy: -112.202 tors. eta vs tors. theta energy: -247.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -2899.219529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.219529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.219529 (E_RNA) where: Base-Base interactions energy: -2084.127 where: short stacking energy: -834.687 Base-Backbone interact. energy: -1.423 local terms energy: -813.668722 where: bonds (distance) C4'-P energy: -158.001 bonds (distance) P-C4' energy: -151.654 flat angles C4'-P-C4' energy: -171.687 flat angles P-C4'-P energy: -100.218 tors. eta vs tors. theta energy: -232.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -2663.997560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.997560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.997560 (E_RNA) where: Base-Base interactions energy: -1909.587 where: short stacking energy: -737.450 Base-Backbone interact. energy: -2.582 local terms energy: -751.827799 where: bonds (distance) C4'-P energy: -136.126 bonds (distance) P-C4' energy: -143.152 flat angles C4'-P-C4' energy: -163.853 flat angles P-C4'-P energy: -115.966 tors. eta vs tors. theta energy: -192.730 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: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -2319.756250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.756250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.756250 (E_RNA) where: Base-Base interactions energy: -1643.961 where: short stacking energy: -658.215 Base-Backbone interact. energy: 10.191 local terms energy: -685.986721 where: bonds (distance) C4'-P energy: -154.657 bonds (distance) P-C4' energy: -123.368 flat angles C4'-P-C4' energy: -154.883 flat angles P-C4'-P energy: -98.749 tors. eta vs tors. theta energy: -154.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3819.100316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3819.100316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3819.100316 (E_RNA) where: Base-Base interactions energy: -2767.279 where: short stacking energy: -1073.230 Base-Backbone interact. energy: -5.320 local terms energy: -1046.501522 where: bonds (distance) C4'-P energy: -175.890 bonds (distance) P-C4' energy: -191.045 flat angles C4'-P-C4' energy: -216.647 flat angles P-C4'-P energy: -154.750 tors. eta vs tors. theta energy: -308.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -3648.489409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3648.489409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3648.489409 (E_RNA) where: Base-Base interactions energy: -2649.991 where: short stacking energy: -1022.945 Base-Backbone interact. energy: -1.173 local terms energy: -997.325040 where: bonds (distance) C4'-P energy: -182.745 bonds (distance) P-C4' energy: -184.237 flat angles C4'-P-C4' energy: -207.767 flat angles P-C4'-P energy: -133.144 tors. eta vs tors. theta energy: -289.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -3595.170248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3595.170248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3595.170248 (E_RNA) where: Base-Base interactions energy: -2597.270 where: short stacking energy: -1032.523 Base-Backbone interact. energy: -3.409 local terms energy: -994.490799 where: bonds (distance) C4'-P energy: -170.360 bonds (distance) P-C4' energy: -172.203 flat angles C4'-P-C4' energy: -217.772 flat angles P-C4'-P energy: -137.231 tors. eta vs tors. theta energy: -296.924 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: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -3562.362636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3562.362636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3562.362636 (E_RNA) where: Base-Base interactions energy: -2596.682 where: short stacking energy: -1027.079 Base-Backbone interact. energy: -3.906 local terms energy: -961.774558 where: bonds (distance) C4'-P energy: -158.401 bonds (distance) P-C4' energy: -152.529 flat angles C4'-P-C4' energy: -207.456 flat angles P-C4'-P energy: -143.662 tors. eta vs tors. theta energy: -299.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -3312.451098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.451098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.451098 (E_RNA) where: Base-Base interactions energy: -2365.841 where: short stacking energy: -954.664 Base-Backbone interact. energy: 0.274 local terms energy: -946.884027 where: bonds (distance) C4'-P energy: -177.079 bonds (distance) P-C4' energy: -162.236 flat angles C4'-P-C4' energy: -198.245 flat angles P-C4'-P energy: -128.866 tors. eta vs tors. theta energy: -280.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -3176.341102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.341102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.341102 (E_RNA) where: Base-Base interactions energy: -2269.172 where: short stacking energy: -924.812 Base-Backbone interact. energy: -0.678 local terms energy: -906.490462 where: bonds (distance) C4'-P energy: -152.962 bonds (distance) P-C4' energy: -148.388 flat angles C4'-P-C4' energy: -205.585 flat angles P-C4'-P energy: -131.741 tors. eta vs tors. theta energy: -267.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -3189.485354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.485354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.485354 (E_RNA) where: Base-Base interactions energy: -2334.492 where: short stacking energy: -892.686 Base-Backbone interact. energy: -0.305 local terms energy: -854.688351 where: bonds (distance) C4'-P energy: -140.358 bonds (distance) P-C4' energy: -162.310 flat angles C4'-P-C4' energy: -184.642 flat angles P-C4'-P energy: -113.742 tors. eta vs tors. theta energy: -253.636 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: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -2830.829050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.829050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.829050 (E_RNA) where: Base-Base interactions energy: -2038.626 where: short stacking energy: -815.011 Base-Backbone interact. energy: 0.000 local terms energy: -792.202771 where: bonds (distance) C4'-P energy: -120.312 bonds (distance) P-C4' energy: -165.699 flat angles C4'-P-C4' energy: -184.326 flat angles P-C4'-P energy: -105.504 tors. eta vs tors. theta energy: -216.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -2690.317391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.317391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.317391 (E_RNA) where: Base-Base interactions energy: -1932.437 where: short stacking energy: -731.296 Base-Backbone interact. energy: -1.096 local terms energy: -756.784037 where: bonds (distance) C4'-P energy: -112.121 bonds (distance) P-C4' energy: -151.766 flat angles C4'-P-C4' energy: -187.253 flat angles P-C4'-P energy: -95.401 tors. eta vs tors. theta energy: -210.243 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: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -2438.298885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.298885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.298885 (E_RNA) where: Base-Base interactions energy: -1734.229 where: short stacking energy: -696.151 Base-Backbone interact. energy: 0.587 local terms energy: -704.657035 where: bonds (distance) C4'-P energy: -121.186 bonds (distance) P-C4' energy: -153.479 flat angles C4'-P-C4' energy: -157.601 flat angles P-C4'-P energy: -94.605 tors. eta vs tors. theta energy: -177.786 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: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3828.808542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3828.808542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3828.808542 (E_RNA) where: Base-Base interactions energy: -2799.521 where: short stacking energy: -1068.865 Base-Backbone interact. energy: -0.225 local terms energy: -1029.061916 where: bonds (distance) C4'-P energy: -188.774 bonds (distance) P-C4' energy: -179.429 flat angles C4'-P-C4' energy: -209.408 flat angles P-C4'-P energy: -140.747 tors. eta vs tors. theta energy: -310.705 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: 160 Temperature: 0.950000 Total energy: -3687.659884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3687.659884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3687.659884 (E_RNA) where: Base-Base interactions energy: -2663.825 where: short stacking energy: -1060.682 Base-Backbone interact. energy: -0.159 local terms energy: -1023.676257 where: bonds (distance) C4'-P energy: -170.919 bonds (distance) P-C4' energy: -178.098 flat angles C4'-P-C4' energy: -218.975 flat angles P-C4'-P energy: -152.238 tors. eta vs tors. theta energy: -303.446 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: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -3556.473491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3556.473491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3556.473491 (E_RNA) where: Base-Base interactions energy: -2564.618 where: short stacking energy: -998.636 Base-Backbone interact. energy: -0.708 local terms energy: -991.147131 where: bonds (distance) C4'-P energy: -177.460 bonds (distance) P-C4' energy: -188.648 flat angles C4'-P-C4' energy: -212.658 flat angles P-C4'-P energy: -134.720 tors. eta vs tors. theta energy: -277.662 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: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -3535.391769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3535.391769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3535.391769 (E_RNA) where: Base-Base interactions energy: -2583.298 where: short stacking energy: -999.291 Base-Backbone interact. energy: -3.846 local terms energy: -948.248720 where: bonds (distance) C4'-P energy: -148.366 bonds (distance) P-C4' energy: -170.322 flat angles C4'-P-C4' energy: -198.136 flat angles P-C4'-P energy: -140.303 tors. eta vs tors. theta energy: -291.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -3319.079217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.079217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.079217 (E_RNA) where: Base-Base interactions energy: -2400.986 where: short stacking energy: -968.216 Base-Backbone interact. energy: -2.834 local terms energy: -915.259075 where: bonds (distance) C4'-P energy: -154.773 bonds (distance) P-C4' energy: -152.612 flat angles C4'-P-C4' energy: -194.279 flat angles P-C4'-P energy: -138.971 tors. eta vs tors. theta energy: -274.624 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: 6, replica: 9 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -3194.856385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.856385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.856385 (E_RNA) where: Base-Base interactions energy: -2279.750 where: short stacking energy: -900.968 Base-Backbone interact. energy: -1.627 local terms energy: -913.479051 where: bonds (distance) C4'-P energy: -152.085 bonds (distance) P-C4' energy: -151.899 flat angles C4'-P-C4' energy: -198.016 flat angles P-C4'-P energy: -135.121 tors. eta vs tors. theta energy: -276.358 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: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -3229.035273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.035273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.035273 (E_RNA) where: Base-Base interactions energy: -2342.351 where: short stacking energy: -910.781 Base-Backbone interact. energy: -4.315 local terms energy: -882.368569 where: bonds (distance) C4'-P energy: -153.630 bonds (distance) P-C4' energy: -159.022 flat angles C4'-P-C4' energy: -195.591 flat angles P-C4'-P energy: -112.484 tors. eta vs tors. theta energy: -261.642 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: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -2824.265009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.265009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.265009 (E_RNA) where: Base-Base interactions energy: -2020.557 where: short stacking energy: -807.725 Base-Backbone interact. energy: -1.827 local terms energy: -801.880492 where: bonds (distance) C4'-P energy: -116.377 bonds (distance) P-C4' energy: -169.563 flat angles C4'-P-C4' energy: -164.357 flat angles P-C4'-P energy: -111.340 tors. eta vs tors. theta energy: -240.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -2653.409252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.409252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.409252 (E_RNA) where: Base-Base interactions energy: -1927.056 where: short stacking energy: -744.621 Base-Backbone interact. energy: 2.367 local terms energy: -728.720375 where: bonds (distance) C4'-P energy: -139.934 bonds (distance) P-C4' energy: -149.721 flat angles C4'-P-C4' energy: -163.327 flat angles P-C4'-P energy: -89.224 tors. eta vs tors. theta energy: -186.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -2495.738771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.738771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.738771 (E_RNA) where: Base-Base interactions energy: -1744.334 where: short stacking energy: -695.986 Base-Backbone interact. energy: -1.656 local terms energy: -749.748533 where: bonds (distance) C4'-P energy: -137.443 bonds (distance) P-C4' energy: -158.388 flat angles C4'-P-C4' energy: -154.652 flat angles P-C4'-P energy: -97.576 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: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3823.433082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.433082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.433082 (E_RNA) where: Base-Base interactions energy: -2767.436 where: short stacking energy: -1093.781 Base-Backbone interact. energy: 1.778 local terms energy: -1057.775905 where: bonds (distance) C4'-P energy: -190.706 bonds (distance) P-C4' energy: -186.506 flat angles C4'-P-C4' energy: -223.554 flat angles P-C4'-P energy: -145.583 tors. eta vs tors. theta energy: -311.427 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: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -3674.373692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3674.373692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3674.373692 (E_RNA) where: Base-Base interactions energy: -2698.758 where: short stacking energy: -1046.855 Base-Backbone interact. energy: -1.427 local terms energy: -974.188572 where: bonds (distance) C4'-P energy: -172.045 bonds (distance) P-C4' energy: -176.668 flat angles C4'-P-C4' energy: -205.408 flat angles P-C4'-P energy: -123.278 tors. eta vs tors. theta energy: -296.789 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: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -3552.154159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.154159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.154159 (E_RNA) where: Base-Base interactions energy: -2591.957 where: short stacking energy: -1022.366 Base-Backbone interact. energy: -2.686 local terms energy: -957.511726 where: bonds (distance) C4'-P energy: -178.138 bonds (distance) P-C4' energy: -155.027 flat angles C4'-P-C4' energy: -211.006 flat angles P-C4'-P energy: -129.760 tors. eta vs tors. theta energy: -283.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -3536.716522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3536.716522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3536.716522 (E_RNA) where: Base-Base interactions energy: -2541.473 where: short stacking energy: -993.919 Base-Backbone interact. energy: -0.542 local terms energy: -994.701274 where: bonds (distance) C4'-P energy: -163.998 bonds (distance) P-C4' energy: -182.099 flat angles C4'-P-C4' energy: -211.901 flat angles P-C4'-P energy: -144.136 tors. eta vs tors. theta energy: -292.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -3305.391369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3305.391369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3305.391369 (E_RNA) where: Base-Base interactions energy: -2356.020 where: short stacking energy: -920.895 Base-Backbone interact. energy: -1.496 local terms energy: -947.875112 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -182.340 flat angles C4'-P-C4' energy: -204.032 flat angles P-C4'-P energy: -133.672 tors. eta vs tors. theta energy: -263.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -3278.594673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.594673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.594673 (E_RNA) where: Base-Base interactions energy: -2424.663 where: short stacking energy: -939.016 Base-Backbone interact. energy: -2.032 local terms energy: -851.899870 where: bonds (distance) C4'-P energy: -140.990 bonds (distance) P-C4' energy: -144.926 flat angles C4'-P-C4' energy: -180.323 flat angles P-C4'-P energy: -121.537 tors. eta vs tors. theta energy: -264.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -3118.996140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.996140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.996140 (E_RNA) where: Base-Base interactions energy: -2226.798 where: short stacking energy: -883.770 Base-Backbone interact. energy: -2.745 local terms energy: -889.453268 where: bonds (distance) C4'-P energy: -152.941 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -193.348 flat angles P-C4'-P energy: -122.776 tors. eta vs tors. theta energy: -264.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -2925.047207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.047207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.047207 (E_RNA) where: Base-Base interactions energy: -2097.213 where: short stacking energy: -842.559 Base-Backbone interact. energy: -1.949 local terms energy: -825.885426 where: bonds (distance) C4'-P energy: -131.361 bonds (distance) P-C4' energy: -122.163 flat angles C4'-P-C4' energy: -191.615 flat angles P-C4'-P energy: -144.200 tors. eta vs tors. theta energy: -236.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -2639.514900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.514900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.514900 (E_RNA) where: Base-Base interactions energy: -1886.952 where: short stacking energy: -746.919 Base-Backbone interact. energy: 4.208 local terms energy: -756.771010 where: bonds (distance) C4'-P energy: -130.368 bonds (distance) P-C4' energy: -150.365 flat angles C4'-P-C4' energy: -174.714 flat angles P-C4'-P energy: -106.934 tors. eta vs tors. theta energy: -194.389 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: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -2509.482411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.482411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.482411 (E_RNA) where: Base-Base interactions energy: -1793.405 where: short stacking energy: -714.559 Base-Backbone interact. energy: -1.088 local terms energy: -714.989365 where: bonds (distance) C4'-P energy: -116.833 bonds (distance) P-C4' energy: -129.608 flat angles C4'-P-C4' energy: -175.492 flat angles P-C4'-P energy: -109.774 tors. eta vs tors. theta energy: -183.283 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: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3832.672186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3832.672186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3832.672186 (E_RNA) where: Base-Base interactions energy: -2784.812 where: short stacking energy: -1083.501 Base-Backbone interact. energy: -2.637 local terms energy: -1045.223111 where: bonds (distance) C4'-P energy: -167.636 bonds (distance) P-C4' energy: -195.993 flat angles C4'-P-C4' energy: -229.295 flat angles P-C4'-P energy: -143.175 tors. eta vs tors. theta energy: -309.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -3667.188876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3667.188876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3667.188876 (E_RNA) where: Base-Base interactions energy: -2660.390 where: short stacking energy: -1021.064 Base-Backbone interact. energy: -0.990 local terms energy: -1005.809151 where: bonds (distance) C4'-P energy: -174.636 bonds (distance) P-C4' energy: -176.928 flat angles C4'-P-C4' energy: -212.877 flat angles P-C4'-P energy: -147.756 tors. eta vs tors. theta energy: -293.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -3559.812673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3559.812673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3559.812673 (E_RNA) where: Base-Base interactions energy: -2559.798 where: short stacking energy: -1034.828 Base-Backbone interact. energy: -0.884 local terms energy: -999.131124 where: bonds (distance) C4'-P energy: -173.895 bonds (distance) P-C4' energy: -171.353 flat angles C4'-P-C4' energy: -218.079 flat angles P-C4'-P energy: -141.448 tors. eta vs tors. theta energy: -294.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -3548.811215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3548.811215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3548.811215 (E_RNA) where: Base-Base interactions energy: -2575.174 where: short stacking energy: -1016.024 Base-Backbone interact. energy: -0.064 local terms energy: -973.573364 where: bonds (distance) C4'-P energy: -152.929 bonds (distance) P-C4' energy: -173.954 flat angles C4'-P-C4' energy: -210.748 flat angles P-C4'-P energy: -142.921 tors. eta vs tors. theta energy: -293.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -3300.223746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.223746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.223746 (E_RNA) where: Base-Base interactions energy: -2379.564 where: short stacking energy: -939.336 Base-Backbone interact. energy: -0.020 local terms energy: -920.640068 where: bonds (distance) C4'-P energy: -160.167 bonds (distance) P-C4' energy: -162.351 flat angles C4'-P-C4' energy: -206.276 flat angles P-C4'-P energy: -122.311 tors. eta vs tors. theta energy: -269.536 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: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -3318.836222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.836222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.836222 (E_RNA) where: Base-Base interactions energy: -2422.373 where: short stacking energy: -950.049 Base-Backbone interact. energy: -0.893 local terms energy: -895.570389 where: bonds (distance) C4'-P energy: -162.923 bonds (distance) P-C4' energy: -163.362 flat angles C4'-P-C4' energy: -180.267 flat angles P-C4'-P energy: -119.074 tors. eta vs tors. theta energy: -269.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -3170.803856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.803856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.803856 (E_RNA) where: Base-Base interactions energy: -2283.628 where: short stacking energy: -903.675 Base-Backbone interact. energy: -3.877 local terms energy: -883.298933 where: bonds (distance) C4'-P energy: -164.116 bonds (distance) P-C4' energy: -142.912 flat angles C4'-P-C4' energy: -200.258 flat angles P-C4'-P energy: -120.725 tors. eta vs tors. theta energy: -255.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -2942.963374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.963374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.963374 (E_RNA) where: Base-Base interactions energy: -2121.566 where: short stacking energy: -845.445 Base-Backbone interact. energy: -0.651 local terms energy: -820.746329 where: bonds (distance) C4'-P energy: -136.178 bonds (distance) P-C4' energy: -129.250 flat angles C4'-P-C4' energy: -184.234 flat angles P-C4'-P energy: -124.927 tors. eta vs tors. theta energy: -246.157 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: 162 Temperature: 1.300000 Total energy: -2624.924510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.924510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.924510 (E_RNA) where: Base-Base interactions energy: -1867.847 where: short stacking energy: -720.506 Base-Backbone interact. energy: -3.652 local terms energy: -753.425496 where: bonds (distance) C4'-P energy: -141.482 bonds (distance) P-C4' energy: -152.831 flat angles C4'-P-C4' energy: -174.930 flat angles P-C4'-P energy: -97.572 tors. eta vs tors. theta energy: -186.610 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: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -2505.671152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.671152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.671152 (E_RNA) where: Base-Base interactions energy: -1792.817 where: short stacking energy: -718.419 Base-Backbone interact. energy: -1.822 local terms energy: -711.032931 where: bonds (distance) C4'-P energy: -142.732 bonds (distance) P-C4' energy: -124.189 flat angles C4'-P-C4' energy: -163.533 flat angles P-C4'-P energy: -97.046 tors. eta vs tors. theta energy: -183.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3833.327151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3833.327151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3833.327151 (E_RNA) where: Base-Base interactions energy: -2770.287 where: short stacking energy: -1085.792 Base-Backbone interact. energy: 1.642 local terms energy: -1064.682834 where: bonds (distance) C4'-P energy: -189.284 bonds (distance) P-C4' energy: -191.776 flat angles C4'-P-C4' energy: -225.899 flat angles P-C4'-P energy: -145.000 tors. eta vs tors. theta energy: -312.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -3670.303320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3670.303320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3670.303320 (E_RNA) where: Base-Base interactions energy: -2669.288 where: short stacking energy: -1038.147 Base-Backbone interact. energy: -3.529 local terms energy: -997.485565 where: bonds (distance) C4'-P energy: -188.217 bonds (distance) P-C4' energy: -172.811 flat angles C4'-P-C4' energy: -218.581 flat angles P-C4'-P energy: -136.443 tors. eta vs tors. theta energy: -281.434 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: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -3558.823569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.823569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.823569 (E_RNA) where: Base-Base interactions energy: -2572.287 where: short stacking energy: -1007.667 Base-Backbone interact. energy: -1.959 local terms energy: -984.578368 where: bonds (distance) C4'-P energy: -176.842 bonds (distance) P-C4' energy: -193.591 flat angles C4'-P-C4' energy: -186.462 flat angles P-C4'-P energy: -137.553 tors. eta vs tors. theta energy: -290.130 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: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -3546.106579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3546.106579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3546.106579 (E_RNA) where: Base-Base interactions energy: -2567.564 where: short stacking energy: -996.442 Base-Backbone interact. energy: -1.589 local terms energy: -976.953915 where: bonds (distance) C4'-P energy: -154.514 bonds (distance) P-C4' energy: -192.683 flat angles C4'-P-C4' energy: -211.925 flat angles P-C4'-P energy: -133.438 tors. eta vs tors. theta energy: -284.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -3279.201802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.201802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.201802 (E_RNA) where: Base-Base interactions energy: -2349.661 where: short stacking energy: -954.024 Base-Backbone interact. energy: -0.234 local terms energy: -929.307061 where: bonds (distance) C4'-P energy: -164.125 bonds (distance) P-C4' energy: -163.893 flat angles C4'-P-C4' energy: -188.573 flat angles P-C4'-P energy: -138.070 tors. eta vs tors. theta energy: -274.647 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: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -3281.361505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.361505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.361505 (E_RNA) where: Base-Base interactions energy: -2385.156 where: short stacking energy: -914.982 Base-Backbone interact. energy: -3.029 local terms energy: -893.176543 where: bonds (distance) C4'-P energy: -143.795 bonds (distance) P-C4' energy: -162.917 flat angles C4'-P-C4' energy: -199.570 flat angles P-C4'-P energy: -116.099 tors. eta vs tors. theta energy: -270.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -3148.437520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.437520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.437520 (E_RNA) where: Base-Base interactions energy: -2282.003 where: short stacking energy: -907.102 Base-Backbone interact. energy: -6.115 local terms energy: -860.319067 where: bonds (distance) C4'-P energy: -153.192 bonds (distance) P-C4' energy: -141.848 flat angles C4'-P-C4' energy: -190.492 flat angles P-C4'-P energy: -123.372 tors. eta vs tors. theta energy: -251.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -2932.265833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.265833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.265833 (E_RNA) where: Base-Base interactions energy: -2082.523 where: short stacking energy: -804.909 Base-Backbone interact. energy: 3.317 local terms energy: -853.059236 where: bonds (distance) C4'-P energy: -165.254 bonds (distance) P-C4' energy: -162.034 flat angles C4'-P-C4' energy: -183.500 flat angles P-C4'-P energy: -113.042 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: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -2674.520164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.520164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.520164 (E_RNA) where: Base-Base interactions energy: -1915.135 where: short stacking energy: -751.632 Base-Backbone interact. energy: 2.919 local terms energy: -762.304308 where: bonds (distance) C4'-P energy: -141.216 bonds (distance) P-C4' energy: -144.774 flat angles C4'-P-C4' energy: -159.351 flat angles P-C4'-P energy: -107.138 tors. eta vs tors. theta energy: -209.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -2592.265021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.265021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.265021 (E_RNA) where: Base-Base interactions energy: -1836.209 where: short stacking energy: -751.353 Base-Backbone interact. energy: 6.516 local terms energy: -762.572641 where: bonds (distance) C4'-P energy: -124.417 bonds (distance) P-C4' energy: -153.647 flat angles C4'-P-C4' energy: -189.994 flat angles P-C4'-P energy: -103.557 tors. eta vs tors. theta energy: -190.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3823.221202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.221202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.221202 (E_RNA) where: Base-Base interactions energy: -2769.667 where: short stacking energy: -1097.571 Base-Backbone interact. energy: 1.900 local terms energy: -1055.453813 where: bonds (distance) C4'-P energy: -190.985 bonds (distance) P-C4' energy: -192.497 flat angles C4'-P-C4' energy: -222.444 flat angles P-C4'-P energy: -139.597 tors. eta vs tors. theta energy: -309.930 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: 164 Temperature: 0.950000 Total energy: -3660.857886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3660.857886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3660.857886 (E_RNA) where: Base-Base interactions energy: -2659.345 where: short stacking energy: -1042.832 Base-Backbone interact. energy: -2.095 local terms energy: -999.417794 where: bonds (distance) C4'-P energy: -181.900 bonds (distance) P-C4' energy: -181.270 flat angles C4'-P-C4' energy: -208.667 flat angles P-C4'-P energy: -132.455 tors. eta vs tors. theta energy: -295.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -3607.582976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.582976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.582976 (E_RNA) where: Base-Base interactions energy: -2623.581 where: short stacking energy: -1022.425 Base-Backbone interact. energy: -3.024 local terms energy: -980.977919 where: bonds (distance) C4'-P energy: -161.737 bonds (distance) P-C4' energy: -166.351 flat angles C4'-P-C4' energy: -216.524 flat angles P-C4'-P energy: -136.511 tors. eta vs tors. theta energy: -299.856 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: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -3481.817986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.817986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.817986 (E_RNA) where: Base-Base interactions energy: -2500.284 where: short stacking energy: -979.762 Base-Backbone interact. energy: -0.698 local terms energy: -980.835749 where: bonds (distance) C4'-P energy: -166.566 bonds (distance) P-C4' energy: -180.566 flat angles C4'-P-C4' energy: -212.760 flat angles P-C4'-P energy: -138.661 tors. eta vs tors. theta energy: -282.284 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: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -3269.608800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.608800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.608800 (E_RNA) where: Base-Base interactions energy: -2360.143 where: short stacking energy: -933.374 Base-Backbone interact. energy: 1.922 local terms energy: -911.387396 where: bonds (distance) C4'-P energy: -163.596 bonds (distance) P-C4' energy: -158.951 flat angles C4'-P-C4' energy: -185.903 flat angles P-C4'-P energy: -130.383 tors. eta vs tors. theta energy: -272.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -3252.373368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.373368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.373368 (E_RNA) where: Base-Base interactions energy: -2359.285 where: short stacking energy: -905.737 Base-Backbone interact. energy: 1.853 local terms energy: -894.941577 where: bonds (distance) C4'-P energy: -164.500 bonds (distance) P-C4' energy: -159.393 flat angles C4'-P-C4' energy: -183.987 flat angles P-C4'-P energy: -129.605 tors. eta vs tors. theta energy: -257.456 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: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -3214.156597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.156597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.156597 (E_RNA) where: Base-Base interactions energy: -2287.264 where: short stacking energy: -889.227 Base-Backbone interact. energy: 0.533 local terms energy: -927.425770 where: bonds (distance) C4'-P energy: -158.269 bonds (distance) P-C4' energy: -165.773 flat angles C4'-P-C4' energy: -218.514 flat angles P-C4'-P energy: -121.129 tors. eta vs tors. theta energy: -263.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -3009.973051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.973051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.973051 (E_RNA) where: Base-Base interactions energy: -2177.097 where: short stacking energy: -866.562 Base-Backbone interact. energy: 0.086 local terms energy: -832.962176 where: bonds (distance) C4'-P energy: -149.377 bonds (distance) P-C4' energy: -145.480 flat angles C4'-P-C4' energy: -180.533 flat angles P-C4'-P energy: -118.814 tors. eta vs tors. theta energy: -238.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -2678.504465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.504465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.504465 (E_RNA) where: Base-Base interactions energy: -1921.079 where: short stacking energy: -755.354 Base-Backbone interact. energy: -3.695 local terms energy: -753.730788 where: bonds (distance) C4'-P energy: -133.625 bonds (distance) P-C4' energy: -146.408 flat angles C4'-P-C4' energy: -173.372 flat angles P-C4'-P energy: -97.941 tors. eta vs tors. theta energy: -202.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -2581.708453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.708453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.708453 (E_RNA) where: Base-Base interactions energy: -1818.352 where: short stacking energy: -720.129 Base-Backbone interact. energy: -0.001 local terms energy: -763.356131 where: bonds (distance) C4'-P energy: -146.030 bonds (distance) P-C4' energy: -153.073 flat angles C4'-P-C4' energy: -166.828 flat angles P-C4'-P energy: -107.645 tors. eta vs tors. theta energy: -189.780 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: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3837.259223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3837.259223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3837.259223 (E_RNA) where: Base-Base interactions energy: -2801.417 where: short stacking energy: -1078.785 Base-Backbone interact. energy: -0.069 local terms energy: -1035.772874 where: bonds (distance) C4'-P energy: -181.141 bonds (distance) P-C4' energy: -182.601 flat angles C4'-P-C4' energy: -216.053 flat angles P-C4'-P energy: -143.777 tors. eta vs tors. theta energy: -312.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -3670.075723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3670.075723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3670.075723 (E_RNA) where: Base-Base interactions energy: -2659.964 where: short stacking energy: -1040.554 Base-Backbone interact. energy: -0.337 local terms energy: -1009.774511 where: bonds (distance) C4'-P energy: -189.408 bonds (distance) P-C4' energy: -172.923 flat angles C4'-P-C4' energy: -213.891 flat angles P-C4'-P energy: -132.292 tors. eta vs tors. theta energy: -301.261 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: 3, replica: 8 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -3591.595565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3591.595565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3591.595565 (E_RNA) where: Base-Base interactions energy: -2604.269 where: short stacking energy: -1012.843 Base-Backbone interact. energy: -1.099 local terms energy: -986.227895 where: bonds (distance) C4'-P energy: -175.645 bonds (distance) P-C4' energy: -187.050 flat angles C4'-P-C4' energy: -203.981 flat angles P-C4'-P energy: -135.499 tors. eta vs tors. theta energy: -284.052 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: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -3496.313480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3496.313480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3496.313480 (E_RNA) where: Base-Base interactions energy: -2516.908 where: short stacking energy: -989.432 Base-Backbone interact. energy: 0.382 local terms energy: -979.787828 where: bonds (distance) C4'-P energy: -163.968 bonds (distance) P-C4' energy: -167.206 flat angles C4'-P-C4' energy: -210.023 flat angles P-C4'-P energy: -148.588 tors. eta vs tors. theta energy: -290.003 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: 165 Temperature: 1.100000 Total energy: -3356.150640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3356.150640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3356.150640 (E_RNA) where: Base-Base interactions energy: -2365.965 where: short stacking energy: -963.907 Base-Backbone interact. energy: -0.035 local terms energy: -990.150910 where: bonds (distance) C4'-P energy: -170.207 bonds (distance) P-C4' energy: -182.995 flat angles C4'-P-C4' energy: -211.449 flat angles P-C4'-P energy: -144.185 tors. eta vs tors. theta energy: -281.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -3300.638725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.638725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.638725 (E_RNA) where: Base-Base interactions energy: -2410.621 where: short stacking energy: -938.665 Base-Backbone interact. energy: -0.918 local terms energy: -889.099879 where: bonds (distance) C4'-P energy: -137.879 bonds (distance) P-C4' energy: -172.837 flat angles C4'-P-C4' energy: -194.704 flat angles P-C4'-P energy: -122.416 tors. eta vs tors. theta energy: -261.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -3178.818540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.818540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.818540 (E_RNA) where: Base-Base interactions energy: -2280.636 where: short stacking energy: -896.794 Base-Backbone interact. energy: -0.187 local terms energy: -897.995288 where: bonds (distance) C4'-P energy: -135.172 bonds (distance) P-C4' energy: -156.153 flat angles C4'-P-C4' energy: -204.338 flat angles P-C4'-P energy: -130.510 tors. eta vs tors. theta energy: -271.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -2984.758456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.758456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.758456 (E_RNA) where: Base-Base interactions energy: -2179.265 where: short stacking energy: -855.609 Base-Backbone interact. energy: 0.004 local terms energy: -805.497070 where: bonds (distance) C4'-P energy: -133.743 bonds (distance) P-C4' energy: -149.277 flat angles C4'-P-C4' energy: -184.180 flat angles P-C4'-P energy: -96.520 tors. eta vs tors. theta energy: -241.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -2728.637085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.637085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.637085 (E_RNA) where: Base-Base interactions energy: -1932.141 where: short stacking energy: -777.978 Base-Backbone interact. energy: 0.485 local terms energy: -796.980997 where: bonds (distance) C4'-P energy: -119.854 bonds (distance) P-C4' energy: -158.856 flat angles C4'-P-C4' energy: -195.099 flat angles P-C4'-P energy: -107.688 tors. eta vs tors. theta energy: -215.484 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: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -2599.461453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.461453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.461453 (E_RNA) where: Base-Base interactions energy: -1856.534 where: short stacking energy: -736.607 Base-Backbone interact. energy: 2.387 local terms energy: -745.314745 where: bonds (distance) C4'-P energy: -125.419 bonds (distance) P-C4' energy: -142.207 flat angles C4'-P-C4' energy: -184.657 flat angles P-C4'-P energy: -103.325 tors. eta vs tors. theta energy: -189.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3808.132396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3808.132396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3808.132396 (E_RNA) where: Base-Base interactions energy: -2766.207 where: short stacking energy: -1085.019 Base-Backbone interact. energy: -2.027 local terms energy: -1039.897873 where: bonds (distance) C4'-P energy: -178.782 bonds (distance) P-C4' energy: -180.821 flat angles C4'-P-C4' energy: -224.204 flat angles P-C4'-P energy: -139.964 tors. eta vs tors. theta energy: -316.127 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: 2, replica: 5 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -3722.411295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3722.411295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3722.411295 (E_RNA) where: Base-Base interactions energy: -2678.787 where: short stacking energy: -1055.522 Base-Backbone interact. energy: 2.049 local terms energy: -1045.673379 where: bonds (distance) C4'-P energy: -194.852 bonds (distance) P-C4' energy: -182.042 flat angles C4'-P-C4' energy: -216.511 flat angles P-C4'-P energy: -136.905 tors. eta vs tors. theta energy: -315.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -3605.715800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3605.715800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3605.715800 (E_RNA) where: Base-Base interactions energy: -2647.936 where: short stacking energy: -1034.535 Base-Backbone interact. energy: -0.403 local terms energy: -957.376642 where: bonds (distance) C4'-P energy: -167.873 bonds (distance) P-C4' energy: -160.036 flat angles C4'-P-C4' energy: -203.986 flat angles P-C4'-P energy: -131.385 tors. eta vs tors. theta energy: -294.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -3508.311380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3508.311380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3508.311380 (E_RNA) where: Base-Base interactions energy: -2476.204 where: short stacking energy: -978.667 Base-Backbone interact. energy: -2.098 local terms energy: -1030.008991 where: bonds (distance) C4'-P energy: -192.211 bonds (distance) P-C4' energy: -179.283 flat angles C4'-P-C4' energy: -215.498 flat angles P-C4'-P energy: -151.729 tors. eta vs tors. theta energy: -291.288 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: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -3328.110414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3328.110414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3328.110414 (E_RNA) where: Base-Base interactions energy: -2377.604 where: short stacking energy: -956.737 Base-Backbone interact. energy: 0.367 local terms energy: -950.873710 where: bonds (distance) C4'-P energy: -156.721 bonds (distance) P-C4' energy: -153.217 flat angles C4'-P-C4' energy: -206.015 flat angles P-C4'-P energy: -149.633 tors. eta vs tors. theta energy: -285.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -3296.640746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.640746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.640746 (E_RNA) where: Base-Base interactions energy: -2405.334 where: short stacking energy: -939.353 Base-Backbone interact. energy: -3.376 local terms energy: -887.931085 where: bonds (distance) C4'-P energy: -164.795 bonds (distance) P-C4' energy: -148.984 flat angles C4'-P-C4' energy: -188.095 flat angles P-C4'-P energy: -117.162 tors. eta vs tors. theta energy: -268.895 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: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -3015.028384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.028384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.028384 (E_RNA) where: Base-Base interactions energy: -2162.900 where: short stacking energy: -871.093 Base-Backbone interact. energy: -2.022 local terms energy: -850.106586 where: bonds (distance) C4'-P energy: -152.639 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -192.403 flat angles P-C4'-P energy: -123.056 tors. eta vs tors. theta energy: -243.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -3095.198431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.198431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.198431 (E_RNA) where: Base-Base interactions energy: -2206.465 where: short stacking energy: -860.751 Base-Backbone interact. energy: -1.367 local terms energy: -887.366478 where: bonds (distance) C4'-P energy: -150.731 bonds (distance) P-C4' energy: -164.227 flat angles C4'-P-C4' energy: -185.918 flat angles P-C4'-P energy: -131.051 tors. eta vs tors. theta energy: -255.440 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: 4 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -2873.941842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.941842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.941842 (E_RNA) where: Base-Base interactions energy: -2043.741 where: short stacking energy: -789.836 Base-Backbone interact. energy: 4.422 local terms energy: -834.622365 where: bonds (distance) C4'-P energy: -170.508 bonds (distance) P-C4' energy: -150.876 flat angles C4'-P-C4' energy: -175.789 flat angles P-C4'-P energy: -116.991 tors. eta vs tors. theta energy: -220.459 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: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -2624.480232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.480232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.480232 (E_RNA) where: Base-Base interactions energy: -1898.509 where: short stacking energy: -736.406 Base-Backbone interact. energy: 4.649 local terms energy: -730.620632 where: bonds (distance) C4'-P energy: -132.907 bonds (distance) P-C4' energy: -133.510 flat angles C4'-P-C4' energy: -164.695 flat angles P-C4'-P energy: -101.410 tors. eta vs tors. theta energy: -198.099 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: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3841.414407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3841.414407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3841.414407 (E_RNA) where: Base-Base interactions energy: -2799.797 where: short stacking energy: -1105.690 Base-Backbone interact. energy: -1.920 local terms energy: -1039.698067 where: bonds (distance) C4'-P energy: -176.893 bonds (distance) P-C4' energy: -184.983 flat angles C4'-P-C4' energy: -228.626 flat angles P-C4'-P energy: -139.272 tors. eta vs tors. theta energy: -309.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -3714.079694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3714.079694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3714.079694 (E_RNA) where: Base-Base interactions energy: -2703.718 where: short stacking energy: -1083.069 Base-Backbone interact. energy: 0.274 local terms energy: -1010.635202 where: bonds (distance) C4'-P energy: -169.102 bonds (distance) P-C4' energy: -175.900 flat angles C4'-P-C4' energy: -211.886 flat angles P-C4'-P energy: -148.381 tors. eta vs tors. theta energy: -305.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -3568.927942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.927942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.927942 (E_RNA) where: Base-Base interactions energy: -2620.487 where: short stacking energy: -997.834 Base-Backbone interact. energy: -1.152 local terms energy: -947.289623 where: bonds (distance) C4'-P energy: -162.853 bonds (distance) P-C4' energy: -165.632 flat angles C4'-P-C4' energy: -199.261 flat angles P-C4'-P energy: -138.066 tors. eta vs tors. theta energy: -281.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -3476.720590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3476.720590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3476.720590 (E_RNA) where: Base-Base interactions energy: -2509.496 where: short stacking energy: -1000.535 Base-Backbone interact. energy: 4.201 local terms energy: -971.424878 where: bonds (distance) C4'-P energy: -175.883 bonds (distance) P-C4' energy: -168.855 flat angles C4'-P-C4' energy: -206.373 flat angles P-C4'-P energy: -138.504 tors. eta vs tors. theta energy: -281.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -3319.053670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.053670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.053670 (E_RNA) where: Base-Base interactions energy: -2400.074 where: short stacking energy: -982.469 Base-Backbone interact. energy: 1.448 local terms energy: -920.427707 where: bonds (distance) C4'-P energy: -147.577 bonds (distance) P-C4' energy: -140.610 flat angles C4'-P-C4' energy: -207.921 flat angles P-C4'-P energy: -143.318 tors. eta vs tors. theta energy: -281.002 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: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -3331.479911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3331.479911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3331.479911 (E_RNA) where: Base-Base interactions energy: -2445.775 where: short stacking energy: -945.399 Base-Backbone interact. energy: -1.236 local terms energy: -884.468896 where: bonds (distance) C4'-P energy: -160.259 bonds (distance) P-C4' energy: -143.718 flat angles C4'-P-C4' energy: -195.883 flat angles P-C4'-P energy: -119.908 tors. eta vs tors. theta energy: -264.700 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: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -3048.946773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.946773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.946773 (E_RNA) where: Base-Base interactions energy: -2199.017 where: short stacking energy: -862.629 Base-Backbone interact. energy: -1.836 local terms energy: -848.093955 where: bonds (distance) C4'-P energy: -144.649 bonds (distance) P-C4' energy: -158.191 flat angles C4'-P-C4' energy: -175.654 flat angles P-C4'-P energy: -133.940 tors. eta vs tors. theta energy: -235.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -3135.840448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.840448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.840448 (E_RNA) where: Base-Base interactions energy: -2233.436 where: short stacking energy: -888.538 Base-Backbone interact. energy: -1.623 local terms energy: -900.781250 where: bonds (distance) C4'-P energy: -162.143 bonds (distance) P-C4' energy: -153.738 flat angles C4'-P-C4' energy: -196.082 flat angles P-C4'-P energy: -129.476 tors. eta vs tors. theta energy: -259.343 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: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -2860.774258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.774258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.774258 (E_RNA) where: Base-Base interactions energy: -2061.168 where: short stacking energy: -819.653 Base-Backbone interact. energy: -1.584 local terms energy: -798.022167 where: bonds (distance) C4'-P energy: -122.070 bonds (distance) P-C4' energy: -162.664 flat angles C4'-P-C4' energy: -180.455 flat angles P-C4'-P energy: -114.671 tors. eta vs tors. theta energy: -218.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -2666.022470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.022470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.022470 (E_RNA) where: Base-Base interactions energy: -1893.559 where: short stacking energy: -732.185 Base-Backbone interact. energy: -3.175 local terms energy: -769.288017 where: bonds (distance) C4'-P energy: -140.034 bonds (distance) P-C4' energy: -156.497 flat angles C4'-P-C4' energy: -177.353 flat angles P-C4'-P energy: -94.569 tors. eta vs tors. theta energy: -200.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3819.593263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3819.593263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3819.593263 (E_RNA) where: Base-Base interactions energy: -2783.063 where: short stacking energy: -1094.143 Base-Backbone interact. energy: -0.687 local terms energy: -1035.843201 where: bonds (distance) C4'-P energy: -166.946 bonds (distance) P-C4' energy: -195.787 flat angles C4'-P-C4' energy: -217.833 flat angles P-C4'-P energy: -146.936 tors. eta vs tors. theta energy: -308.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -3722.467299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3722.467299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3722.467299 (E_RNA) where: Base-Base interactions energy: -2693.072 where: short stacking energy: -1068.159 Base-Backbone interact. energy: -0.215 local terms energy: -1029.180159 where: bonds (distance) C4'-P energy: -163.096 bonds (distance) P-C4' energy: -182.256 flat angles C4'-P-C4' energy: -225.983 flat angles P-C4'-P energy: -153.167 tors. eta vs tors. theta energy: -304.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -3578.139914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3578.139914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3578.139914 (E_RNA) where: Base-Base interactions energy: -2624.450 where: short stacking energy: -991.944 Base-Backbone interact. energy: 0.531 local terms energy: -954.220824 where: bonds (distance) C4'-P energy: -170.572 bonds (distance) P-C4' energy: -174.444 flat angles C4'-P-C4' energy: -181.552 flat angles P-C4'-P energy: -132.463 tors. eta vs tors. theta energy: -295.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -3448.070526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.070526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.070526 (E_RNA) where: Base-Base interactions energy: -2489.266 where: short stacking energy: -965.486 Base-Backbone interact. energy: -2.991 local terms energy: -955.813502 where: bonds (distance) C4'-P energy: -177.004 bonds (distance) P-C4' energy: -175.068 flat angles C4'-P-C4' energy: -192.182 flat angles P-C4'-P energy: -137.444 tors. eta vs tors. theta energy: -274.116 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: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -3333.128399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3333.128399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3333.128399 (E_RNA) where: Base-Base interactions energy: -2394.644 where: short stacking energy: -917.006 Base-Backbone interact. energy: -0.330 local terms energy: -938.153892 where: bonds (distance) C4'-P energy: -153.324 bonds (distance) P-C4' energy: -178.397 flat angles C4'-P-C4' energy: -207.558 flat angles P-C4'-P energy: -132.741 tors. eta vs tors. theta energy: -266.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -3258.179206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.179206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.179206 (E_RNA) where: Base-Base interactions energy: -2329.760 where: short stacking energy: -923.912 Base-Backbone interact. energy: -0.024 local terms energy: -928.395308 where: bonds (distance) C4'-P energy: -144.871 bonds (distance) P-C4' energy: -167.481 flat angles C4'-P-C4' energy: -202.336 flat angles P-C4'-P energy: -134.165 tors. eta vs tors. theta energy: -279.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -3166.408658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.408658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.408658 (E_RNA) where: Base-Base interactions energy: -2256.897 where: short stacking energy: -906.702 Base-Backbone interact. energy: -0.884 local terms energy: -908.627811 where: bonds (distance) C4'-P energy: -167.826 bonds (distance) P-C4' energy: -159.853 flat angles C4'-P-C4' energy: -185.559 flat angles P-C4'-P energy: -133.715 tors. eta vs tors. theta energy: -261.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -3009.526427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.526427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.526427 (E_RNA) where: Base-Base interactions energy: -2202.199 where: short stacking energy: -847.234 Base-Backbone interact. energy: 1.325 local terms energy: -808.652518 where: bonds (distance) C4'-P energy: -128.629 bonds (distance) P-C4' energy: -145.916 flat angles C4'-P-C4' energy: -186.735 flat angles P-C4'-P energy: -110.511 tors. eta vs tors. theta energy: -236.862 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: 4 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -2877.617709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.617709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.617709 (E_RNA) where: Base-Base interactions energy: -2056.000 where: short stacking energy: -813.426 Base-Backbone interact. energy: -1.218 local terms energy: -820.399473 where: bonds (distance) C4'-P energy: -147.188 bonds (distance) P-C4' energy: -159.561 flat angles C4'-P-C4' energy: -179.740 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -228.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -2783.718731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.718731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.718731 (E_RNA) where: Base-Base interactions energy: -2003.395 where: short stacking energy: -782.323 Base-Backbone interact. energy: 4.087 local terms energy: -784.410972 where: bonds (distance) C4'-P energy: -133.352 bonds (distance) P-C4' energy: -144.317 flat angles C4'-P-C4' energy: -190.130 flat angles P-C4'-P energy: -95.647 tors. eta vs tors. theta energy: -220.964 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: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3836.805795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3836.805795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3836.805795 (E_RNA) where: Base-Base interactions energy: -2813.763 where: short stacking energy: -1098.278 Base-Backbone interact. energy: -1.844 local terms energy: -1021.198330 where: bonds (distance) C4'-P energy: -184.807 bonds (distance) P-C4' energy: -189.608 flat angles C4'-P-C4' energy: -211.206 flat angles P-C4'-P energy: -126.900 tors. eta vs tors. theta energy: -308.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -3745.257059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3745.257059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3745.257059 (E_RNA) where: Base-Base interactions energy: -2730.538 where: short stacking energy: -1060.891 Base-Backbone interact. energy: -3.231 local terms energy: -1011.487887 where: bonds (distance) C4'-P energy: -180.292 bonds (distance) P-C4' energy: -177.722 flat angles C4'-P-C4' energy: -212.506 flat angles P-C4'-P energy: -134.123 tors. eta vs tors. theta energy: -306.845 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: 169 Temperature: 1.000000 Total energy: -3607.384583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.384583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.384583 (E_RNA) where: Base-Base interactions energy: -2652.970 where: short stacking energy: -1008.418 Base-Backbone interact. energy: -1.677 local terms energy: -952.737681 where: bonds (distance) C4'-P energy: -155.685 bonds (distance) P-C4' energy: -169.604 flat angles C4'-P-C4' energy: -204.159 flat angles P-C4'-P energy: -142.077 tors. eta vs tors. theta energy: -281.212 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: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -3472.952477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.952477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.952477 (E_RNA) where: Base-Base interactions energy: -2509.805 where: short stacking energy: -990.037 Base-Backbone interact. energy: -0.151 local terms energy: -962.996434 where: bonds (distance) C4'-P energy: -165.479 bonds (distance) P-C4' energy: -170.953 flat angles C4'-P-C4' energy: -194.772 flat angles P-C4'-P energy: -143.372 tors. eta vs tors. theta energy: -288.422 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: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -3329.136586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.136586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.136586 (E_RNA) where: Base-Base interactions energy: -2413.317 where: short stacking energy: -927.323 Base-Backbone interact. energy: -3.875 local terms energy: -911.945004 where: bonds (distance) C4'-P energy: -150.033 bonds (distance) P-C4' energy: -177.959 flat angles C4'-P-C4' energy: -188.686 flat angles P-C4'-P energy: -129.504 tors. eta vs tors. theta energy: -265.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -3278.288274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.288274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.288274 (E_RNA) where: Base-Base interactions energy: -2364.650 where: short stacking energy: -961.135 Base-Backbone interact. energy: 0.480 local terms energy: -914.118275 where: bonds (distance) C4'-P energy: -161.569 bonds (distance) P-C4' energy: -166.547 flat angles C4'-P-C4' energy: -189.970 flat angles P-C4'-P energy: -119.648 tors. eta vs tors. theta energy: -276.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -3183.426737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.426737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.426737 (E_RNA) where: Base-Base interactions energy: -2300.757 where: short stacking energy: -909.471 Base-Backbone interact. energy: -0.344 local terms energy: -882.326553 where: bonds (distance) C4'-P energy: -166.392 bonds (distance) P-C4' energy: -158.801 flat angles C4'-P-C4' energy: -185.319 flat angles P-C4'-P energy: -108.010 tors. eta vs tors. theta energy: -263.804 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: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -3012.200607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.200607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.200607 (E_RNA) where: Base-Base interactions energy: -2140.466 where: short stacking energy: -836.631 Base-Backbone interact. energy: -0.373 local terms energy: -871.361218 where: bonds (distance) C4'-P energy: -145.339 bonds (distance) P-C4' energy: -164.910 flat angles C4'-P-C4' energy: -194.764 flat angles P-C4'-P energy: -126.474 tors. eta vs tors. theta energy: -239.873 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: 9, replica: 4 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -2816.265490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.265490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.265490 (E_RNA) where: Base-Base interactions energy: -2032.511 where: short stacking energy: -820.438 Base-Backbone interact. energy: 0.212 local terms energy: -783.966526 where: bonds (distance) C4'-P energy: -136.299 bonds (distance) P-C4' energy: -124.125 flat angles C4'-P-C4' energy: -177.102 flat angles P-C4'-P energy: -121.261 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: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -2750.315580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.315580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.315580 (E_RNA) where: Base-Base interactions energy: -1969.072 where: short stacking energy: -738.499 Base-Backbone interact. energy: -3.069 local terms energy: -778.175259 where: bonds (distance) C4'-P energy: -163.581 bonds (distance) P-C4' energy: -136.397 flat angles C4'-P-C4' energy: -175.207 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -203.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3775.221346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3775.221346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3775.221346 (E_RNA) where: Base-Base interactions energy: -2720.570 where: short stacking energy: -1079.025 Base-Backbone interact. energy: -2.222 local terms energy: -1052.429587 where: bonds (distance) C4'-P energy: -178.617 bonds (distance) P-C4' energy: -192.883 flat angles C4'-P-C4' energy: -224.045 flat angles P-C4'-P energy: -151.350 tors. eta vs tors. theta energy: -305.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -3821.815336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3821.815336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3821.815336 (E_RNA) where: Base-Base interactions energy: -2762.778 where: short stacking energy: -1074.551 Base-Backbone interact. energy: -0.397 local terms energy: -1058.640504 where: bonds (distance) C4'-P energy: -183.050 bonds (distance) P-C4' energy: -189.560 flat angles C4'-P-C4' energy: -215.048 flat angles P-C4'-P energy: -154.907 tors. eta vs tors. theta energy: -316.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -3584.111980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3584.111980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3584.111980 (E_RNA) where: Base-Base interactions energy: -2598.970 where: short stacking energy: -1007.309 Base-Backbone interact. energy: -2.771 local terms energy: -982.370294 where: bonds (distance) C4'-P energy: -179.914 bonds (distance) P-C4' energy: -167.730 flat angles C4'-P-C4' energy: -212.732 flat angles P-C4'-P energy: -137.190 tors. eta vs tors. theta energy: -284.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -3497.062004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3497.062004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3497.062004 (E_RNA) where: Base-Base interactions energy: -2522.012 where: short stacking energy: -999.597 Base-Backbone interact. energy: -0.963 local terms energy: -974.086366 where: bonds (distance) C4'-P energy: -161.410 bonds (distance) P-C4' energy: -165.545 flat angles C4'-P-C4' energy: -213.556 flat angles P-C4'-P energy: -130.745 tors. eta vs tors. theta energy: -302.830 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: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -3319.627435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.627435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.627435 (E_RNA) where: Base-Base interactions energy: -2416.254 where: short stacking energy: -905.353 Base-Backbone interact. energy: -1.712 local terms energy: -901.660533 where: bonds (distance) C4'-P energy: -151.862 bonds (distance) P-C4' energy: -169.766 flat angles C4'-P-C4' energy: -196.884 flat angles P-C4'-P energy: -126.981 tors. eta vs tors. theta energy: -256.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -3261.630371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.630371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.630371 (E_RNA) where: Base-Base interactions energy: -2334.250 where: short stacking energy: -925.445 Base-Backbone interact. energy: -0.847 local terms energy: -926.534032 where: bonds (distance) C4'-P energy: -164.426 bonds (distance) P-C4' energy: -180.863 flat angles C4'-P-C4' energy: -194.761 flat angles P-C4'-P energy: -114.328 tors. eta vs tors. theta energy: -272.156 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: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -3160.222646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.222646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.222646 (E_RNA) where: Base-Base interactions energy: -2284.752 where: short stacking energy: -897.756 Base-Backbone interact. energy: -2.687 local terms energy: -872.783554 where: bonds (distance) C4'-P energy: -152.173 bonds (distance) P-C4' energy: -156.953 flat angles C4'-P-C4' energy: -180.665 flat angles P-C4'-P energy: -123.147 tors. eta vs tors. theta energy: -259.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -3026.760075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.760075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.760075 (E_RNA) where: Base-Base interactions energy: -2177.793 where: short stacking energy: -849.064 Base-Backbone interact. energy: -1.880 local terms energy: -847.086705 where: bonds (distance) C4'-P energy: -145.078 bonds (distance) P-C4' energy: -136.522 flat angles C4'-P-C4' energy: -189.777 flat angles P-C4'-P energy: -125.730 tors. eta vs tors. theta energy: -249.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -2821.457157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.457157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.457157 (E_RNA) where: Base-Base interactions energy: -1981.559 where: short stacking energy: -786.683 Base-Backbone interact. energy: -0.531 local terms energy: -839.367256 where: bonds (distance) C4'-P energy: -158.617 bonds (distance) P-C4' energy: -152.499 flat angles C4'-P-C4' energy: -185.298 flat angles P-C4'-P energy: -116.283 tors. eta vs tors. theta energy: -226.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -2649.370568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.370568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.370568 (E_RNA) where: Base-Base interactions energy: -1889.366 where: short stacking energy: -741.971 Base-Backbone interact. energy: 0.579 local terms energy: -760.583167 where: bonds (distance) C4'-P energy: -131.767 bonds (distance) P-C4' energy: -159.902 flat angles C4'-P-C4' energy: -167.659 flat angles P-C4'-P energy: -107.220 tors. eta vs tors. theta energy: -194.036 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: 5 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3768.783974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3768.783974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3768.783974 (E_RNA) where: Base-Base interactions energy: -2735.533 where: short stacking energy: -1084.814 Base-Backbone interact. energy: 3.549 local terms energy: -1036.800202 where: bonds (distance) C4'-P energy: -184.572 bonds (distance) P-C4' energy: -177.597 flat angles C4'-P-C4' energy: -203.460 flat angles P-C4'-P energy: -158.608 tors. eta vs tors. theta energy: -312.563 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: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -3761.232293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3761.232293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3761.232293 (E_RNA) where: Base-Base interactions energy: -2729.864 where: short stacking energy: -1088.683 Base-Backbone interact. energy: 1.531 local terms energy: -1032.899805 where: bonds (distance) C4'-P energy: -191.014 bonds (distance) P-C4' energy: -168.401 flat angles C4'-P-C4' energy: -208.796 flat angles P-C4'-P energy: -145.802 tors. eta vs tors. theta energy: -318.888 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: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -3567.919731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3567.919731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3567.919731 (E_RNA) where: Base-Base interactions energy: -2614.630 where: short stacking energy: -1008.173 Base-Backbone interact. energy: 1.285 local terms energy: -954.574826 where: bonds (distance) C4'-P energy: -157.021 bonds (distance) P-C4' energy: -181.813 flat angles C4'-P-C4' energy: -198.961 flat angles P-C4'-P energy: -137.034 tors. eta vs tors. theta energy: -279.747 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: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -3527.023139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3527.023139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3527.023139 (E_RNA) where: Base-Base interactions energy: -2559.322 where: short stacking energy: -1013.787 Base-Backbone interact. energy: -0.334 local terms energy: -967.367200 where: bonds (distance) C4'-P energy: -157.847 bonds (distance) P-C4' energy: -174.960 flat angles C4'-P-C4' energy: -198.762 flat angles P-C4'-P energy: -142.634 tors. eta vs tors. theta energy: -293.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -3357.218080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3357.218080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3357.218080 (E_RNA) where: Base-Base interactions energy: -2432.233 where: short stacking energy: -967.260 Base-Backbone interact. energy: -0.150 local terms energy: -924.835028 where: bonds (distance) C4'-P energy: -148.224 bonds (distance) P-C4' energy: -168.648 flat angles C4'-P-C4' energy: -203.674 flat angles P-C4'-P energy: -125.107 tors. eta vs tors. theta energy: -279.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -3286.620861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3286.620861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3286.620861 (E_RNA) where: Base-Base interactions energy: -2342.549 where: short stacking energy: -958.377 Base-Backbone interact. energy: -2.008 local terms energy: -942.064725 where: bonds (distance) C4'-P energy: -157.418 bonds (distance) P-C4' energy: -170.672 flat angles C4'-P-C4' energy: -200.672 flat angles P-C4'-P energy: -133.782 tors. eta vs tors. theta energy: -279.521 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: 171 Temperature: 1.200000 Total energy: -3191.903993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.903993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.903993 (E_RNA) where: Base-Base interactions energy: -2303.781 where: short stacking energy: -911.518 Base-Backbone interact. energy: 8.283 local terms energy: -896.405645 where: bonds (distance) C4'-P energy: -156.134 bonds (distance) P-C4' energy: -164.477 flat angles C4'-P-C4' energy: -191.761 flat angles P-C4'-P energy: -126.231 tors. eta vs tors. theta energy: -257.803 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: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -3039.653665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.653665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.653665 (E_RNA) where: Base-Base interactions energy: -2187.576 where: short stacking energy: -851.597 Base-Backbone interact. energy: 1.597 local terms energy: -853.674906 where: bonds (distance) C4'-P energy: -148.290 bonds (distance) P-C4' energy: -159.105 flat angles C4'-P-C4' energy: -186.500 flat angles P-C4'-P energy: -122.827 tors. eta vs tors. theta energy: -236.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -2837.071334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.071334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.071334 (E_RNA) where: Base-Base interactions energy: -2043.676 where: short stacking energy: -822.994 Base-Backbone interact. energy: -0.987 local terms energy: -792.407861 where: bonds (distance) C4'-P energy: -128.024 bonds (distance) P-C4' energy: -130.115 flat angles C4'-P-C4' energy: -175.971 flat angles P-C4'-P energy: -115.664 tors. eta vs tors. theta energy: -242.635 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: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -2619.380662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.380662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.380662 (E_RNA) where: Base-Base interactions energy: -1861.590 where: short stacking energy: -718.327 Base-Backbone interact. energy: 1.595 local terms energy: -759.385413 where: bonds (distance) C4'-P energy: -150.935 bonds (distance) P-C4' energy: -145.784 flat angles C4'-P-C4' energy: -161.300 flat angles P-C4'-P energy: -98.045 tors. eta vs tors. theta energy: -203.322 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: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3841.793077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3841.793077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3841.793077 (E_RNA) where: Base-Base interactions energy: -2792.454 where: short stacking energy: -1088.053 Base-Backbone interact. energy: -0.181 local terms energy: -1049.157299 where: bonds (distance) C4'-P energy: -178.332 bonds (distance) P-C4' energy: -177.735 flat angles C4'-P-C4' energy: -225.608 flat angles P-C4'-P energy: -155.181 tors. eta vs tors. theta energy: -312.302 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: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -3722.531855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3722.531855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3722.531855 (E_RNA) where: Base-Base interactions energy: -2714.085 where: short stacking energy: -1074.398 Base-Backbone interact. energy: 4.391 local terms energy: -1012.838049 where: bonds (distance) C4'-P energy: -171.036 bonds (distance) P-C4' energy: -182.656 flat angles C4'-P-C4' energy: -208.263 flat angles P-C4'-P energy: -148.888 tors. eta vs tors. theta energy: -301.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -3532.905473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3532.905473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3532.905473 (E_RNA) where: Base-Base interactions energy: -2557.902 where: short stacking energy: -1019.840 Base-Backbone interact. energy: -0.701 local terms energy: -974.302902 where: bonds (distance) C4'-P energy: -174.990 bonds (distance) P-C4' energy: -180.311 flat angles C4'-P-C4' energy: -187.298 flat angles P-C4'-P energy: -132.385 tors. eta vs tors. theta energy: -299.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -3488.353715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.353715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.353715 (E_RNA) where: Base-Base interactions energy: -2547.029 where: short stacking energy: -982.394 Base-Backbone interact. energy: 7.000 local terms energy: -948.324107 where: bonds (distance) C4'-P energy: -178.008 bonds (distance) P-C4' energy: -154.608 flat angles C4'-P-C4' energy: -216.908 flat angles P-C4'-P energy: -122.787 tors. eta vs tors. theta energy: -276.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -3387.306526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.306526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.306526 (E_RNA) where: Base-Base interactions energy: -2446.138 where: short stacking energy: -962.901 Base-Backbone interact. energy: -4.637 local terms energy: -936.531234 where: bonds (distance) C4'-P energy: -160.102 bonds (distance) P-C4' energy: -165.685 flat angles C4'-P-C4' energy: -203.481 flat angles P-C4'-P energy: -135.875 tors. eta vs tors. theta energy: -271.389 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: 9 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -3272.138865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.138865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.138865 (E_RNA) where: Base-Base interactions energy: -2362.706 where: short stacking energy: -915.754 Base-Backbone interact. energy: 2.753 local terms energy: -912.186391 where: bonds (distance) C4'-P energy: -141.575 bonds (distance) P-C4' energy: -160.835 flat angles C4'-P-C4' energy: -196.078 flat angles P-C4'-P energy: -140.878 tors. eta vs tors. theta energy: -272.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -3148.578029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.578029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.578029 (E_RNA) where: Base-Base interactions energy: -2291.107 where: short stacking energy: -886.389 Base-Backbone interact. energy: -0.219 local terms energy: -857.252190 where: bonds (distance) C4'-P energy: -130.784 bonds (distance) P-C4' energy: -133.864 flat angles C4'-P-C4' energy: -193.253 flat angles P-C4'-P energy: -137.666 tors. eta vs tors. theta energy: -261.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -2966.983366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.983366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.983366 (E_RNA) where: Base-Base interactions energy: -2158.211 where: short stacking energy: -821.921 Base-Backbone interact. energy: -2.328 local terms energy: -806.443510 where: bonds (distance) C4'-P energy: -144.156 bonds (distance) P-C4' energy: -147.178 flat angles C4'-P-C4' energy: -187.242 flat angles P-C4'-P energy: -110.401 tors. eta vs tors. theta energy: -217.467 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: 4 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -2830.543257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.543257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.543257 (E_RNA) where: Base-Base interactions energy: -2051.886 where: short stacking energy: -816.752 Base-Backbone interact. energy: 1.988 local terms energy: -780.645769 where: bonds (distance) C4'-P energy: -122.816 bonds (distance) P-C4' energy: -150.784 flat angles C4'-P-C4' energy: -180.747 flat angles P-C4'-P energy: -98.972 tors. eta vs tors. theta energy: -227.327 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: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -2586.545158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.545158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.545158 (E_RNA) where: Base-Base interactions energy: -1846.656 where: short stacking energy: -724.129 Base-Backbone interact. energy: -2.502 local terms energy: -737.387934 where: bonds (distance) C4'-P energy: -120.007 bonds (distance) P-C4' energy: -146.125 flat angles C4'-P-C4' energy: -173.246 flat angles P-C4'-P energy: -107.879 tors. eta vs tors. theta energy: -190.131 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: 1 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3852.888347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3852.888347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3852.888347 (E_RNA) where: Base-Base interactions energy: -2804.590 where: short stacking energy: -1084.015 Base-Backbone interact. energy: 1.750 local terms energy: -1050.048407 where: bonds (distance) C4'-P energy: -169.104 bonds (distance) P-C4' energy: -194.647 flat angles C4'-P-C4' energy: -220.514 flat angles P-C4'-P energy: -150.391 tors. eta vs tors. theta energy: -315.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -3728.006645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3728.006645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3728.006645 (E_RNA) where: Base-Base interactions energy: -2677.298 where: short stacking energy: -1056.202 Base-Backbone interact. energy: -0.447 local terms energy: -1050.262324 where: bonds (distance) C4'-P energy: -190.954 bonds (distance) P-C4' energy: -177.079 flat angles C4'-P-C4' energy: -221.573 flat angles P-C4'-P energy: -153.850 tors. eta vs tors. theta energy: -306.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -3525.525935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.525935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.525935 (E_RNA) where: Base-Base interactions energy: -2566.506 where: short stacking energy: -1000.327 Base-Backbone interact. energy: -0.271 local terms energy: -958.748132 where: bonds (distance) C4'-P energy: -168.691 bonds (distance) P-C4' energy: -159.538 flat angles C4'-P-C4' energy: -197.823 flat angles P-C4'-P energy: -149.418 tors. eta vs tors. theta energy: -283.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -3482.291974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.291974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.291974 (E_RNA) where: Base-Base interactions energy: -2532.116 where: short stacking energy: -985.391 Base-Backbone interact. energy: -0.388 local terms energy: -949.788083 where: bonds (distance) C4'-P energy: -174.072 bonds (distance) P-C4' energy: -156.657 flat angles C4'-P-C4' energy: -201.359 flat angles P-C4'-P energy: -148.484 tors. eta vs tors. theta energy: -269.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -3343.920549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3343.920549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3343.920549 (E_RNA) where: Base-Base interactions energy: -2423.161 where: short stacking energy: -935.105 Base-Backbone interact. energy: -3.074 local terms energy: -917.685065 where: bonds (distance) C4'-P energy: -167.636 bonds (distance) P-C4' energy: -152.123 flat angles C4'-P-C4' energy: -213.784 flat angles P-C4'-P energy: -126.069 tors. eta vs tors. theta energy: -258.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -3290.697918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.697918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.697918 (E_RNA) where: Base-Base interactions energy: -2340.688 where: short stacking energy: -941.271 Base-Backbone interact. energy: -2.867 local terms energy: -947.142686 where: bonds (distance) C4'-P energy: -151.695 bonds (distance) P-C4' energy: -182.358 flat angles C4'-P-C4' energy: -190.213 flat angles P-C4'-P energy: -144.786 tors. eta vs tors. theta energy: -278.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -3146.152246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.152246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.152246 (E_RNA) where: Base-Base interactions energy: -2271.714 where: short stacking energy: -912.461 Base-Backbone interact. energy: -1.215 local terms energy: -873.223220 where: bonds (distance) C4'-P energy: -138.735 bonds (distance) P-C4' energy: -129.058 flat angles C4'-P-C4' energy: -209.925 flat angles P-C4'-P energy: -129.414 tors. eta vs tors. theta energy: -266.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -3030.061591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.061591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.061591 (E_RNA) where: Base-Base interactions energy: -2209.134 where: short stacking energy: -826.376 Base-Backbone interact. energy: 0.761 local terms energy: -821.689133 where: bonds (distance) C4'-P energy: -129.765 bonds (distance) P-C4' energy: -154.026 flat angles C4'-P-C4' energy: -200.422 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -226.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -2780.297524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.297524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.297524 (E_RNA) where: Base-Base interactions energy: -1992.572 where: short stacking energy: -790.184 Base-Backbone interact. energy: -0.732 local terms energy: -786.993441 where: bonds (distance) C4'-P energy: -135.557 bonds (distance) P-C4' energy: -159.080 flat angles C4'-P-C4' energy: -158.491 flat angles P-C4'-P energy: -107.546 tors. eta vs tors. theta energy: -226.320 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: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -2575.096926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.096926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.096926 (E_RNA) where: Base-Base interactions energy: -1827.647 where: short stacking energy: -700.722 Base-Backbone interact. energy: -2.718 local terms energy: -744.732353 where: bonds (distance) C4'-P energy: -139.690 bonds (distance) P-C4' energy: -142.699 flat angles C4'-P-C4' energy: -173.888 flat angles P-C4'-P energy: -108.102 tors. eta vs tors. theta energy: -180.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3820.490844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3820.490844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3820.490844 (E_RNA) where: Base-Base interactions energy: -2784.539 where: short stacking energy: -1075.114 Base-Backbone interact. energy: -4.745 local terms energy: -1031.207426 where: bonds (distance) C4'-P energy: -186.643 bonds (distance) P-C4' energy: -173.976 flat angles C4'-P-C4' energy: -224.505 flat angles P-C4'-P energy: -130.386 tors. eta vs tors. theta energy: -315.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -3696.763633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3696.763633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3696.763633 (E_RNA) where: Base-Base interactions energy: -2661.360 where: short stacking energy: -1053.433 Base-Backbone interact. energy: -1.384 local terms energy: -1034.019395 where: bonds (distance) C4'-P energy: -179.726 bonds (distance) P-C4' energy: -174.741 flat angles C4'-P-C4' energy: -215.837 flat angles P-C4'-P energy: -153.593 tors. eta vs tors. theta energy: -310.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -3514.282800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3514.282800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3514.282800 (E_RNA) where: Base-Base interactions energy: -2511.161 where: short stacking energy: -1012.919 Base-Backbone interact. energy: 2.107 local terms energy: -1005.229629 where: bonds (distance) C4'-P energy: -186.518 bonds (distance) P-C4' energy: -183.062 flat angles C4'-P-C4' energy: -205.843 flat angles P-C4'-P energy: -139.024 tors. eta vs tors. theta energy: -290.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -3520.787634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3520.787634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3520.787634 (E_RNA) where: Base-Base interactions energy: -2574.721 where: short stacking energy: -978.346 Base-Backbone interact. energy: -0.142 local terms energy: -945.925191 where: bonds (distance) C4'-P energy: -166.807 bonds (distance) P-C4' energy: -173.508 flat angles C4'-P-C4' energy: -199.756 flat angles P-C4'-P energy: -128.018 tors. eta vs tors. theta energy: -277.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -3384.797761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3384.797761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3384.797761 (E_RNA) where: Base-Base interactions energy: -2452.049 where: short stacking energy: -944.681 Base-Backbone interact. energy: 0.141 local terms energy: -932.889661 where: bonds (distance) C4'-P energy: -150.273 bonds (distance) P-C4' energy: -180.706 flat angles C4'-P-C4' energy: -208.596 flat angles P-C4'-P energy: -128.940 tors. eta vs tors. theta energy: -264.375 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: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -3227.205410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.205410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.205410 (E_RNA) where: Base-Base interactions energy: -2303.576 where: short stacking energy: -897.881 Base-Backbone interact. energy: -2.727 local terms energy: -920.903081 where: bonds (distance) C4'-P energy: -155.962 bonds (distance) P-C4' energy: -162.878 flat angles C4'-P-C4' energy: -191.766 flat angles P-C4'-P energy: -140.704 tors. eta vs tors. theta energy: -269.593 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: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -3152.121068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.121068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.121068 (E_RNA) where: Base-Base interactions energy: -2274.618 where: short stacking energy: -892.133 Base-Backbone interact. energy: 1.284 local terms energy: -878.786666 where: bonds (distance) C4'-P energy: -157.070 bonds (distance) P-C4' energy: -150.850 flat angles C4'-P-C4' energy: -186.755 flat angles P-C4'-P energy: -123.590 tors. eta vs tors. theta energy: -260.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -3084.353832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.353832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.353832 (E_RNA) where: Base-Base interactions energy: -2222.089 where: short stacking energy: -894.108 Base-Backbone interact. energy: 2.451 local terms energy: -864.716241 where: bonds (distance) C4'-P energy: -129.202 bonds (distance) P-C4' energy: -175.042 flat angles C4'-P-C4' energy: -180.295 flat angles P-C4'-P energy: -117.246 tors. eta vs tors. theta energy: -262.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -2834.784059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.784059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.784059 (E_RNA) where: Base-Base interactions energy: -2022.878 where: short stacking energy: -822.486 Base-Backbone interact. energy: -0.637 local terms energy: -811.269587 where: bonds (distance) C4'-P energy: -147.432 bonds (distance) P-C4' energy: -144.513 flat angles C4'-P-C4' energy: -154.612 flat angles P-C4'-P energy: -127.024 tors. eta vs tors. theta energy: -237.688 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: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -2518.745605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.745605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.745605 (E_RNA) where: Base-Base interactions energy: -1764.001 where: short stacking energy: -704.490 Base-Backbone interact. energy: -0.362 local terms energy: -754.381772 where: bonds (distance) C4'-P energy: -146.349 bonds (distance) P-C4' energy: -142.294 flat angles C4'-P-C4' energy: -172.642 flat angles P-C4'-P energy: -101.904 tors. eta vs tors. theta energy: -191.193 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: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3821.038421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3821.038421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3821.038421 (E_RNA) where: Base-Base interactions energy: -2766.720 where: short stacking energy: -1065.261 Base-Backbone interact. energy: -1.701 local terms energy: -1052.616703 where: bonds (distance) C4'-P energy: -182.516 bonds (distance) P-C4' energy: -200.746 flat angles C4'-P-C4' energy: -207.857 flat angles P-C4'-P energy: -145.175 tors. eta vs tors. theta energy: -316.323 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: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -3711.286684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3711.286684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3711.286684 (E_RNA) where: Base-Base interactions energy: -2690.867 where: short stacking energy: -1053.074 Base-Backbone interact. energy: -3.301 local terms energy: -1017.118712 where: bonds (distance) C4'-P energy: -179.409 bonds (distance) P-C4' energy: -181.285 flat angles C4'-P-C4' energy: -213.443 flat angles P-C4'-P energy: -136.320 tors. eta vs tors. theta energy: -306.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -3540.906015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3540.906015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3540.906015 (E_RNA) where: Base-Base interactions energy: -2554.405 where: short stacking energy: -1007.001 Base-Backbone interact. energy: -0.601 local terms energy: -985.899585 where: bonds (distance) C4'-P energy: -168.300 bonds (distance) P-C4' energy: -183.641 flat angles C4'-P-C4' energy: -205.252 flat angles P-C4'-P energy: -144.033 tors. eta vs tors. theta energy: -284.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -3525.495966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.495966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.495966 (E_RNA) where: Base-Base interactions energy: -2577.450 where: short stacking energy: -993.519 Base-Backbone interact. energy: 3.827 local terms energy: -951.873794 where: bonds (distance) C4'-P energy: -168.624 bonds (distance) P-C4' energy: -171.174 flat angles C4'-P-C4' energy: -209.819 flat angles P-C4'-P energy: -127.217 tors. eta vs tors. theta energy: -275.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -3358.237443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3358.237443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3358.237443 (E_RNA) where: Base-Base interactions energy: -2427.170 where: short stacking energy: -931.483 Base-Backbone interact. energy: -0.216 local terms energy: -930.851147 where: bonds (distance) C4'-P energy: -165.412 bonds (distance) P-C4' energy: -159.715 flat angles C4'-P-C4' energy: -208.551 flat angles P-C4'-P energy: -140.672 tors. eta vs tors. theta energy: -256.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -3200.873251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.873251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.873251 (E_RNA) where: Base-Base interactions energy: -2296.925 where: short stacking energy: -884.461 Base-Backbone interact. energy: 0.659 local terms energy: -904.607604 where: bonds (distance) C4'-P energy: -163.875 bonds (distance) P-C4' energy: -160.154 flat angles C4'-P-C4' energy: -183.952 flat angles P-C4'-P energy: -142.296 tors. eta vs tors. theta energy: -254.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -3176.546754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.546754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.546754 (E_RNA) where: Base-Base interactions energy: -2303.614 where: short stacking energy: -904.575 Base-Backbone interact. energy: -1.861 local terms energy: -871.071387 where: bonds (distance) C4'-P energy: -128.861 bonds (distance) P-C4' energy: -148.005 flat angles C4'-P-C4' energy: -203.610 flat angles P-C4'-P energy: -131.677 tors. eta vs tors. theta energy: -258.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -3081.536698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.536698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.536698 (E_RNA) where: Base-Base interactions energy: -2231.346 where: short stacking energy: -864.780 Base-Backbone interact. energy: -1.409 local terms energy: -848.781431 where: bonds (distance) C4'-P energy: -136.461 bonds (distance) P-C4' energy: -143.389 flat angles C4'-P-C4' energy: -193.413 flat angles P-C4'-P energy: -121.213 tors. eta vs tors. theta energy: -254.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -2833.148186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.148186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.148186 (E_RNA) where: Base-Base interactions energy: -2051.313 where: short stacking energy: -803.843 Base-Backbone interact. energy: 0.890 local terms energy: -782.725392 where: bonds (distance) C4'-P energy: -134.408 bonds (distance) P-C4' energy: -121.769 flat angles C4'-P-C4' energy: -180.331 flat angles P-C4'-P energy: -117.015 tors. eta vs tors. theta energy: -229.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -2486.488525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.488525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.488525 (E_RNA) where: Base-Base interactions energy: -1765.592 where: short stacking energy: -681.433 Base-Backbone interact. energy: -0.424 local terms energy: -720.472865 where: bonds (distance) C4'-P energy: -147.867 bonds (distance) P-C4' energy: -146.776 flat angles C4'-P-C4' energy: -161.108 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -184.613 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: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3804.069816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3804.069816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3804.069816 (E_RNA) where: Base-Base interactions energy: -2734.604 where: short stacking energy: -1055.937 Base-Backbone interact. energy: -3.563 local terms energy: -1065.901954 where: bonds (distance) C4'-P energy: -177.090 bonds (distance) P-C4' energy: -187.172 flat angles C4'-P-C4' energy: -214.317 flat angles P-C4'-P energy: -166.669 tors. eta vs tors. theta energy: -320.654 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: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -3718.465819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3718.465819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3718.465819 (E_RNA) where: Base-Base interactions energy: -2688.490 where: short stacking energy: -1041.239 Base-Backbone interact. energy: -1.279 local terms energy: -1028.697329 where: bonds (distance) C4'-P energy: -189.170 bonds (distance) P-C4' energy: -180.529 flat angles C4'-P-C4' energy: -206.144 flat angles P-C4'-P energy: -152.942 tors. eta vs tors. theta energy: -299.912 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: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -3562.661230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3562.661230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3562.661230 (E_RNA) where: Base-Base interactions energy: -2570.061 where: short stacking energy: -1024.594 Base-Backbone interact. energy: -2.229 local terms energy: -990.370889 where: bonds (distance) C4'-P energy: -171.716 bonds (distance) P-C4' energy: -168.097 flat angles C4'-P-C4' energy: -214.194 flat angles P-C4'-P energy: -150.898 tors. eta vs tors. theta energy: -285.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -3498.406804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3498.406804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3498.406804 (E_RNA) where: Base-Base interactions energy: -2552.166 where: short stacking energy: -997.061 Base-Backbone interact. energy: 4.275 local terms energy: -950.516238 where: bonds (distance) C4'-P energy: -173.458 bonds (distance) P-C4' energy: -163.551 flat angles C4'-P-C4' energy: -215.378 flat angles P-C4'-P energy: -120.205 tors. eta vs tors. theta energy: -277.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -3337.323715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.323715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.323715 (E_RNA) where: Base-Base interactions energy: -2425.480 where: short stacking energy: -949.576 Base-Backbone interact. energy: -0.495 local terms energy: -911.348572 where: bonds (distance) C4'-P energy: -159.690 bonds (distance) P-C4' energy: -154.423 flat angles C4'-P-C4' energy: -206.494 flat angles P-C4'-P energy: -135.346 tors. eta vs tors. theta energy: -255.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -3255.475095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.475095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.475095 (E_RNA) where: Base-Base interactions energy: -2344.392 where: short stacking energy: -919.692 Base-Backbone interact. energy: 1.689 local terms energy: -912.771959 where: bonds (distance) C4'-P energy: -143.715 bonds (distance) P-C4' energy: -170.335 flat angles C4'-P-C4' energy: -188.211 flat angles P-C4'-P energy: -132.356 tors. eta vs tors. theta energy: -278.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -3157.460359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.460359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.460359 (E_RNA) where: Base-Base interactions energy: -2249.846 where: short stacking energy: -888.730 Base-Backbone interact. energy: -0.439 local terms energy: -907.175415 where: bonds (distance) C4'-P energy: -179.434 bonds (distance) P-C4' energy: -161.681 flat angles C4'-P-C4' energy: -179.302 flat angles P-C4'-P energy: -121.697 tors. eta vs tors. theta energy: -265.061 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: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -3082.409332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.409332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.409332 (E_RNA) where: Base-Base interactions energy: -2244.137 where: short stacking energy: -902.653 Base-Backbone interact. energy: 2.967 local terms energy: -841.240212 where: bonds (distance) C4'-P energy: -132.863 bonds (distance) P-C4' energy: -144.971 flat angles C4'-P-C4' energy: -182.541 flat angles P-C4'-P energy: -116.267 tors. eta vs tors. theta energy: -264.599 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: 4 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -2894.535683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.535683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.535683 (E_RNA) where: Base-Base interactions energy: -2107.363 where: short stacking energy: -818.277 Base-Backbone interact. energy: 0.572 local terms energy: -787.744240 where: bonds (distance) C4'-P energy: -139.643 bonds (distance) P-C4' energy: -143.077 flat angles C4'-P-C4' energy: -174.515 flat angles P-C4'-P energy: -98.016 tors. eta vs tors. theta energy: -232.494 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: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -2430.472647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.472647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.472647 (E_RNA) where: Base-Base interactions energy: -1767.476 where: short stacking energy: -684.541 Base-Backbone interact. energy: 0.439 local terms energy: -663.435986 where: bonds (distance) C4'-P energy: -108.410 bonds (distance) P-C4' energy: -135.293 flat angles C4'-P-C4' energy: -176.065 flat angles P-C4'-P energy: -77.555 tors. eta vs tors. theta energy: -166.114 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: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3834.806767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3834.806767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3834.806767 (E_RNA) where: Base-Base interactions energy: -2788.529 where: short stacking energy: -1092.577 Base-Backbone interact. energy: -3.590 local terms energy: -1042.687013 where: bonds (distance) C4'-P energy: -172.847 bonds (distance) P-C4' energy: -181.104 flat angles C4'-P-C4' energy: -230.314 flat angles P-C4'-P energy: -137.377 tors. eta vs tors. theta energy: -321.045 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: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -3724.354675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3724.354675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3724.354675 (E_RNA) where: Base-Base interactions energy: -2683.971 where: short stacking energy: -1071.981 Base-Backbone interact. energy: 1.271 local terms energy: -1041.654362 where: bonds (distance) C4'-P energy: -179.081 bonds (distance) P-C4' energy: -178.078 flat angles C4'-P-C4' energy: -215.623 flat angles P-C4'-P energy: -152.347 tors. eta vs tors. theta energy: -316.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -3568.269540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.269540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.269540 (E_RNA) where: Base-Base interactions energy: -2563.786 where: short stacking energy: -1012.000 Base-Backbone interact. energy: -3.012 local terms energy: -1001.472187 where: bonds (distance) C4'-P energy: -169.949 bonds (distance) P-C4' energy: -168.793 flat angles C4'-P-C4' energy: -214.030 flat angles P-C4'-P energy: -144.417 tors. eta vs tors. theta energy: -304.283 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: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -3529.261009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3529.261009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3529.261009 (E_RNA) where: Base-Base interactions energy: -2551.703 where: short stacking energy: -984.334 Base-Backbone interact. energy: -1.930 local terms energy: -975.628345 where: bonds (distance) C4'-P energy: -190.456 bonds (distance) P-C4' energy: -167.280 flat angles C4'-P-C4' energy: -202.665 flat angles P-C4'-P energy: -132.477 tors. eta vs tors. theta energy: -282.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -3346.512002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3346.512002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3346.512002 (E_RNA) where: Base-Base interactions energy: -2437.434 where: short stacking energy: -908.997 Base-Backbone interact. energy: -6.439 local terms energy: -902.638917 where: bonds (distance) C4'-P energy: -156.116 bonds (distance) P-C4' energy: -148.633 flat angles C4'-P-C4' energy: -205.684 flat angles P-C4'-P energy: -139.853 tors. eta vs tors. theta energy: -252.352 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: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -3263.106179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.106179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.106179 (E_RNA) where: Base-Base interactions energy: -2352.185 where: short stacking energy: -947.862 Base-Backbone interact. energy: -2.264 local terms energy: -908.657684 where: bonds (distance) C4'-P energy: -168.967 bonds (distance) P-C4' energy: -154.083 flat angles C4'-P-C4' energy: -195.039 flat angles P-C4'-P energy: -124.583 tors. eta vs tors. theta energy: -265.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -3155.971164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.971164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.971164 (E_RNA) where: Base-Base interactions energy: -2295.549 where: short stacking energy: -905.659 Base-Backbone interact. energy: 1.465 local terms energy: -861.886879 where: bonds (distance) C4'-P energy: -139.709 bonds (distance) P-C4' energy: -141.642 flat angles C4'-P-C4' energy: -184.202 flat angles P-C4'-P energy: -130.198 tors. eta vs tors. theta energy: -266.136 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: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -3066.789990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.789990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.789990 (E_RNA) where: Base-Base interactions energy: -2226.825 where: short stacking energy: -859.263 Base-Backbone interact. energy: 1.826 local terms energy: -841.791021 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -153.147 flat angles C4'-P-C4' energy: -180.219 flat angles P-C4'-P energy: -113.872 tors. eta vs tors. theta energy: -258.454 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: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -2846.730356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.730356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.730356 (E_RNA) where: Base-Base interactions energy: -2029.839 where: short stacking energy: -794.399 Base-Backbone interact. energy: 0.223 local terms energy: -817.114233 where: bonds (distance) C4'-P energy: -140.084 bonds (distance) P-C4' energy: -152.738 flat angles C4'-P-C4' energy: -174.788 flat angles P-C4'-P energy: -123.249 tors. eta vs tors. theta energy: -226.255 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: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -2424.441579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.441579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.441579 (E_RNA) where: Base-Base interactions energy: -1743.440 where: short stacking energy: -690.659 Base-Backbone interact. energy: 5.107 local terms energy: -686.109010 where: bonds (distance) C4'-P energy: -141.340 bonds (distance) P-C4' energy: -128.280 flat angles C4'-P-C4' energy: -161.671 flat angles P-C4'-P energy: -85.017 tors. eta vs tors. theta energy: -169.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3836.893494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3836.893494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3836.893494 (E_RNA) where: Base-Base interactions energy: -2790.297 where: short stacking energy: -1109.013 Base-Backbone interact. energy: -2.593 local terms energy: -1044.003973 where: bonds (distance) C4'-P energy: -188.869 bonds (distance) P-C4' energy: -170.332 flat angles C4'-P-C4' energy: -225.282 flat angles P-C4'-P energy: -139.512 tors. eta vs tors. theta energy: -320.009 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: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -3718.205124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3718.205124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3718.205124 (E_RNA) where: Base-Base interactions energy: -2705.268 where: short stacking energy: -1044.830 Base-Backbone interact. energy: -2.153 local terms energy: -1010.784124 where: bonds (distance) C4'-P energy: -159.060 bonds (distance) P-C4' energy: -184.079 flat angles C4'-P-C4' energy: -225.764 flat angles P-C4'-P energy: -139.628 tors. eta vs tors. theta energy: -302.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -3526.808557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3526.808557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3526.808557 (E_RNA) where: Base-Base interactions energy: -2534.707 where: short stacking energy: -1008.933 Base-Backbone interact. energy: -3.449 local terms energy: -988.653052 where: bonds (distance) C4'-P energy: -171.113 bonds (distance) P-C4' energy: -169.472 flat angles C4'-P-C4' energy: -203.780 flat angles P-C4'-P energy: -144.432 tors. eta vs tors. theta energy: -299.855 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: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -3468.716481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.716481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.716481 (E_RNA) where: Base-Base interactions energy: -2535.992 where: short stacking energy: -962.429 Base-Backbone interact. energy: -0.738 local terms energy: -931.986354 where: bonds (distance) C4'-P energy: -152.489 bonds (distance) P-C4' energy: -181.465 flat angles C4'-P-C4' energy: -200.924 flat angles P-C4'-P energy: -117.041 tors. eta vs tors. theta energy: -280.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -3320.403581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.403581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.403581 (E_RNA) where: Base-Base interactions energy: -2393.091 where: short stacking energy: -922.888 Base-Backbone interact. energy: 0.849 local terms energy: -928.161071 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -171.327 flat angles C4'-P-C4' energy: -206.032 flat angles P-C4'-P energy: -135.874 tors. eta vs tors. theta energy: -260.865 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: 6, replica: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -3283.118650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.118650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.118650 (E_RNA) where: Base-Base interactions energy: -2358.386 where: short stacking energy: -938.365 Base-Backbone interact. energy: -0.986 local terms energy: -923.746569 where: bonds (distance) C4'-P energy: -159.358 bonds (distance) P-C4' energy: -175.609 flat angles C4'-P-C4' energy: -198.765 flat angles P-C4'-P energy: -126.773 tors. eta vs tors. theta energy: -263.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -3119.222369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.222369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.222369 (E_RNA) where: Base-Base interactions energy: -2274.894 where: short stacking energy: -900.463 Base-Backbone interact. energy: 2.339 local terms energy: -846.667475 where: bonds (distance) C4'-P energy: -148.297 bonds (distance) P-C4' energy: -152.063 flat angles C4'-P-C4' energy: -168.918 flat angles P-C4'-P energy: -119.547 tors. eta vs tors. theta energy: -257.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -3081.541483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.541483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.541483 (E_RNA) where: Base-Base interactions energy: -2225.365 where: short stacking energy: -862.035 Base-Backbone interact. energy: -1.698 local terms energy: -854.477809 where: bonds (distance) C4'-P energy: -140.665 bonds (distance) P-C4' energy: -142.046 flat angles C4'-P-C4' energy: -186.560 flat angles P-C4'-P energy: -130.689 tors. eta vs tors. theta energy: -254.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -2833.180639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.180639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.180639 (E_RNA) where: Base-Base interactions energy: -2019.933 where: short stacking energy: -791.407 Base-Backbone interact. energy: 0.565 local terms energy: -813.812504 where: bonds (distance) C4'-P energy: -150.174 bonds (distance) P-C4' energy: -146.692 flat angles C4'-P-C4' energy: -183.980 flat angles P-C4'-P energy: -99.435 tors. eta vs tors. theta energy: -233.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -2498.914974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.914974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.914974 (E_RNA) where: Base-Base interactions energy: -1734.890 where: short stacking energy: -686.194 Base-Backbone interact. energy: 0.153 local terms energy: -764.178410 where: bonds (distance) C4'-P energy: -153.858 bonds (distance) P-C4' energy: -161.485 flat angles C4'-P-C4' energy: -169.208 flat angles P-C4'-P energy: -96.264 tors. eta vs tors. theta energy: -183.364 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: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3833.691568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3833.691568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3833.691568 (E_RNA) where: Base-Base interactions energy: -2762.399 where: short stacking energy: -1095.463 Base-Backbone interact. energy: -1.677 local terms energy: -1069.616141 where: bonds (distance) C4'-P energy: -188.628 bonds (distance) P-C4' energy: -199.207 flat angles C4'-P-C4' energy: -217.822 flat angles P-C4'-P energy: -148.485 tors. eta vs tors. theta energy: -315.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -3734.715547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.715547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.715547 (E_RNA) where: Base-Base interactions energy: -2725.807 where: short stacking energy: -1050.053 Base-Backbone interact. energy: -0.999 local terms energy: -1007.908930 where: bonds (distance) C4'-P energy: -173.702 bonds (distance) P-C4' energy: -176.199 flat angles C4'-P-C4' energy: -225.853 flat angles P-C4'-P energy: -130.745 tors. eta vs tors. theta energy: -301.409 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: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -3557.004406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3557.004406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3557.004406 (E_RNA) where: Base-Base interactions energy: -2543.670 where: short stacking energy: -1016.202 Base-Backbone interact. energy: -1.263 local terms energy: -1012.070789 where: bonds (distance) C4'-P energy: -178.561 bonds (distance) P-C4' energy: -174.276 flat angles C4'-P-C4' energy: -200.581 flat angles P-C4'-P energy: -151.533 tors. eta vs tors. theta energy: -307.121 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: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -3482.398282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.398282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.398282 (E_RNA) where: Base-Base interactions energy: -2521.082 where: short stacking energy: -993.013 Base-Backbone interact. energy: 4.772 local terms energy: -966.088751 where: bonds (distance) C4'-P energy: -180.942 bonds (distance) P-C4' energy: -173.273 flat angles C4'-P-C4' energy: -200.538 flat angles P-C4'-P energy: -120.063 tors. eta vs tors. theta energy: -291.272 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: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -3328.421983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3328.421983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3328.421983 (E_RNA) where: Base-Base interactions energy: -2403.228 where: short stacking energy: -933.177 Base-Backbone interact. energy: -1.420 local terms energy: -923.774439 where: bonds (distance) C4'-P energy: -145.583 bonds (distance) P-C4' energy: -173.522 flat angles C4'-P-C4' energy: -206.888 flat angles P-C4'-P energy: -132.940 tors. eta vs tors. theta energy: -264.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -3253.065591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.065591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.065591 (E_RNA) where: Base-Base interactions energy: -2316.368 where: short stacking energy: -912.624 Base-Backbone interact. energy: 0.369 local terms energy: -937.066616 where: bonds (distance) C4'-P energy: -160.061 bonds (distance) P-C4' energy: -166.984 flat angles C4'-P-C4' energy: -211.755 flat angles P-C4'-P energy: -129.745 tors. eta vs tors. theta energy: -268.521 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: 179 Temperature: 1.200000 Total energy: -3146.389204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.389204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.389204 (E_RNA) where: Base-Base interactions energy: -2291.597 where: short stacking energy: -871.981 Base-Backbone interact. energy: -1.569 local terms energy: -853.223172 where: bonds (distance) C4'-P energy: -147.110 bonds (distance) P-C4' energy: -157.337 flat angles C4'-P-C4' energy: -176.865 flat angles P-C4'-P energy: -114.670 tors. eta vs tors. theta energy: -257.241 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: 179 Temperature: 1.250000 Total energy: -3114.258747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.258747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.258747 (E_RNA) where: Base-Base interactions energy: -2273.017 where: short stacking energy: -890.337 Base-Backbone interact. energy: 3.747 local terms energy: -844.988165 where: bonds (distance) C4'-P energy: -127.422 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -194.389 flat angles P-C4'-P energy: -128.983 tors. eta vs tors. theta energy: -261.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -2774.482763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.482763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.482763 (E_RNA) where: Base-Base interactions energy: -1975.105 where: short stacking energy: -784.198 Base-Backbone interact. energy: 1.353 local terms energy: -800.731003 where: bonds (distance) C4'-P energy: -139.521 bonds (distance) P-C4' energy: -153.558 flat angles C4'-P-C4' energy: -183.788 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -222.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -2485.584493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.584493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.584493 (E_RNA) where: Base-Base interactions energy: -1758.559 where: short stacking energy: -700.876 Base-Backbone interact. energy: 0.429 local terms energy: -727.455195 where: bonds (distance) C4'-P energy: -163.170 bonds (distance) P-C4' energy: -134.914 flat angles C4'-P-C4' energy: -153.627 flat angles P-C4'-P energy: -95.734 tors. eta vs tors. theta energy: -180.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3825.265314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.265314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.265314 (E_RNA) where: Base-Base interactions energy: -2769.473 where: short stacking energy: -1076.207 Base-Backbone interact. energy: -2.812 local terms energy: -1052.980507 where: bonds (distance) C4'-P energy: -185.945 bonds (distance) P-C4' energy: -189.924 flat angles C4'-P-C4' energy: -216.657 flat angles P-C4'-P energy: -151.414 tors. eta vs tors. theta energy: -309.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -3707.796991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3707.796991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3707.796991 (E_RNA) where: Base-Base interactions energy: -2673.565 where: short stacking energy: -1038.198 Base-Backbone interact. energy: -3.332 local terms energy: -1030.899914 where: bonds (distance) C4'-P energy: -175.017 bonds (distance) P-C4' energy: -175.044 flat angles C4'-P-C4' energy: -225.462 flat angles P-C4'-P energy: -157.477 tors. eta vs tors. theta energy: -297.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -3579.360876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3579.360876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3579.360876 (E_RNA) where: Base-Base interactions energy: -2580.494 where: short stacking energy: -1009.091 Base-Backbone interact. energy: -0.266 local terms energy: -998.600929 where: bonds (distance) C4'-P energy: -191.151 bonds (distance) P-C4' energy: -170.993 flat angles C4'-P-C4' energy: -198.014 flat angles P-C4'-P energy: -139.189 tors. eta vs tors. theta energy: -299.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -3469.435156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.435156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.435156 (E_RNA) where: Base-Base interactions energy: -2535.783 where: short stacking energy: -968.794 Base-Backbone interact. energy: 3.691 local terms energy: -937.343232 where: bonds (distance) C4'-P energy: -151.346 bonds (distance) P-C4' energy: -179.465 flat angles C4'-P-C4' energy: -211.556 flat angles P-C4'-P energy: -127.688 tors. eta vs tors. theta energy: -267.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -3371.544943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3371.544943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3371.544943 (E_RNA) where: Base-Base interactions energy: -2461.163 where: short stacking energy: -962.638 Base-Backbone interact. energy: 0.433 local terms energy: -910.814242 where: bonds (distance) C4'-P energy: -165.740 bonds (distance) P-C4' energy: -170.861 flat angles C4'-P-C4' energy: -189.835 flat angles P-C4'-P energy: -117.955 tors. eta vs tors. theta energy: -266.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -3233.472370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.472370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.472370 (E_RNA) where: Base-Base interactions energy: -2326.127 where: short stacking energy: -903.673 Base-Backbone interact. energy: 0.780 local terms energy: -908.125726 where: bonds (distance) C4'-P energy: -166.700 bonds (distance) P-C4' energy: -155.616 flat angles C4'-P-C4' energy: -189.070 flat angles P-C4'-P energy: -128.635 tors. eta vs tors. theta energy: -268.104 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: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -3101.419851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.419851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.419851 (E_RNA) where: Base-Base interactions energy: -2215.481 where: short stacking energy: -881.525 Base-Backbone interact. energy: 1.667 local terms energy: -887.605556 where: bonds (distance) C4'-P energy: -152.797 bonds (distance) P-C4' energy: -170.016 flat angles C4'-P-C4' energy: -180.167 flat angles P-C4'-P energy: -134.606 tors. eta vs tors. theta energy: -250.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -3075.545967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.545967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.545967 (E_RNA) where: Base-Base interactions energy: -2251.061 where: short stacking energy: -863.000 Base-Backbone interact. energy: 3.884 local terms energy: -828.369229 where: bonds (distance) C4'-P energy: -137.397 bonds (distance) P-C4' energy: -155.982 flat angles C4'-P-C4' energy: -181.900 flat angles P-C4'-P energy: -120.505 tors. eta vs tors. theta energy: -232.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -2811.257643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.257643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.257643 (E_RNA) where: Base-Base interactions energy: -2001.485 where: short stacking energy: -777.962 Base-Backbone interact. energy: -3.573 local terms energy: -806.199200 where: bonds (distance) C4'-P energy: -157.719 bonds (distance) P-C4' energy: -136.453 flat angles C4'-P-C4' energy: -176.542 flat angles P-C4'-P energy: -115.351 tors. eta vs tors. theta energy: -220.134 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: 2 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -2549.086842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.086842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.086842 (E_RNA) where: Base-Base interactions energy: -1792.214 where: short stacking energy: -741.127 Base-Backbone interact. energy: 1.836 local terms energy: -758.708878 where: bonds (distance) C4'-P energy: -154.685 bonds (distance) P-C4' energy: -154.139 flat angles C4'-P-C4' energy: -154.522 flat angles P-C4'-P energy: -95.372 tors. eta vs tors. theta energy: -199.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3863.922695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3863.922695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3863.922695 (E_RNA) where: Base-Base interactions energy: -2810.290 where: short stacking energy: -1103.289 Base-Backbone interact. energy: -3.099 local terms energy: -1050.534294 where: bonds (distance) C4'-P energy: -199.817 bonds (distance) P-C4' energy: -169.642 flat angles C4'-P-C4' energy: -220.020 flat angles P-C4'-P energy: -155.857 tors. eta vs tors. theta energy: -305.199 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: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -3730.937013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3730.937013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3730.937013 (E_RNA) where: Base-Base interactions energy: -2716.695 where: short stacking energy: -1045.963 Base-Backbone interact. energy: -2.121 local terms energy: -1012.120527 where: bonds (distance) C4'-P energy: -184.100 bonds (distance) P-C4' energy: -169.736 flat angles C4'-P-C4' energy: -206.803 flat angles P-C4'-P energy: -149.095 tors. eta vs tors. theta energy: -302.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -3579.477824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3579.477824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3579.477824 (E_RNA) where: Base-Base interactions energy: -2573.729 where: short stacking energy: -1020.851 Base-Backbone interact. energy: -1.054 local terms energy: -1004.695209 where: bonds (distance) C4'-P energy: -172.376 bonds (distance) P-C4' energy: -168.381 flat angles C4'-P-C4' energy: -208.918 flat angles P-C4'-P energy: -144.495 tors. eta vs tors. theta energy: -310.525 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: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -3469.572642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.572642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.572642 (E_RNA) where: Base-Base interactions energy: -2541.195 where: short stacking energy: -974.715 Base-Backbone interact. energy: 1.980 local terms energy: -930.357730 where: bonds (distance) C4'-P energy: -154.492 bonds (distance) P-C4' energy: -164.999 flat angles C4'-P-C4' energy: -202.795 flat angles P-C4'-P energy: -134.216 tors. eta vs tors. theta energy: -273.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -3354.554533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.554533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.554533 (E_RNA) where: Base-Base interactions energy: -2434.782 where: short stacking energy: -960.140 Base-Backbone interact. energy: -2.453 local terms energy: -917.319353 where: bonds (distance) C4'-P energy: -152.300 bonds (distance) P-C4' energy: -181.816 flat angles C4'-P-C4' energy: -198.015 flat angles P-C4'-P energy: -120.202 tors. eta vs tors. theta energy: -264.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -3163.247855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.247855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.247855 (E_RNA) where: Base-Base interactions energy: -2303.892 where: short stacking energy: -897.950 Base-Backbone interact. energy: 2.178 local terms energy: -861.534290 where: bonds (distance) C4'-P energy: -132.718 bonds (distance) P-C4' energy: -154.725 flat angles C4'-P-C4' energy: -177.058 flat angles P-C4'-P energy: -130.368 tors. eta vs tors. theta energy: -266.665 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: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -3162.935205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.935205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.935205 (E_RNA) where: Base-Base interactions energy: -2272.302 where: short stacking energy: -892.717 Base-Backbone interact. energy: 0.613 local terms energy: -891.245742 where: bonds (distance) C4'-P energy: -152.496 bonds (distance) P-C4' energy: -147.409 flat angles C4'-P-C4' energy: -192.721 flat angles P-C4'-P energy: -137.547 tors. eta vs tors. theta energy: -261.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -3121.617177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.617177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.617177 (E_RNA) where: Base-Base interactions energy: -2259.817 where: short stacking energy: -890.826 Base-Backbone interact. energy: 2.693 local terms energy: -864.493257 where: bonds (distance) C4'-P energy: -136.511 bonds (distance) P-C4' energy: -161.771 flat angles C4'-P-C4' energy: -187.980 flat angles P-C4'-P energy: -115.522 tors. eta vs tors. theta energy: -262.708 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: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -2842.424793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.424793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.424793 (E_RNA) where: Base-Base interactions energy: -2066.440 where: short stacking energy: -830.733 Base-Backbone interact. energy: 1.556 local terms energy: -777.540500 where: bonds (distance) C4'-P energy: -142.266 bonds (distance) P-C4' energy: -124.718 flat angles C4'-P-C4' energy: -178.045 flat angles P-C4'-P energy: -101.841 tors. eta vs tors. theta energy: -230.670 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: 2 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -2516.218398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.218398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.218398 (E_RNA) where: Base-Base interactions energy: -1791.599 where: short stacking energy: -707.741 Base-Backbone interact. energy: -2.116 local terms energy: -722.503952 where: bonds (distance) C4'-P energy: -139.055 bonds (distance) P-C4' energy: -126.581 flat angles C4'-P-C4' energy: -170.532 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -197.734 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: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3866.359391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3866.359391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3866.359391 (E_RNA) where: Base-Base interactions energy: -2826.808 where: short stacking energy: -1098.561 Base-Backbone interact. energy: 1.155 local terms energy: -1040.705770 where: bonds (distance) C4'-P energy: -179.742 bonds (distance) P-C4' energy: -175.006 flat angles C4'-P-C4' energy: -215.883 flat angles P-C4'-P energy: -164.428 tors. eta vs tors. theta energy: -305.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -3722.887296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3722.887296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3722.887296 (E_RNA) where: Base-Base interactions energy: -2704.670 where: short stacking energy: -1063.220 Base-Backbone interact. energy: -1.057 local terms energy: -1017.160282 where: bonds (distance) C4'-P energy: -162.081 bonds (distance) P-C4' energy: -189.553 flat angles C4'-P-C4' energy: -213.016 flat angles P-C4'-P energy: -146.148 tors. eta vs tors. theta energy: -306.362 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: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -3606.539612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3606.539612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3606.539612 (E_RNA) where: Base-Base interactions energy: -2593.182 where: short stacking energy: -1015.892 Base-Backbone interact. energy: 0.700 local terms energy: -1014.056813 where: bonds (distance) C4'-P energy: -188.360 bonds (distance) P-C4' energy: -172.177 flat angles C4'-P-C4' energy: -210.035 flat angles P-C4'-P energy: -141.302 tors. eta vs tors. theta energy: -302.183 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: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -3488.175470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.175470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.175470 (E_RNA) where: Base-Base interactions energy: -2544.240 where: short stacking energy: -970.648 Base-Backbone interact. energy: 3.951 local terms energy: -947.886206 where: bonds (distance) C4'-P energy: -180.300 bonds (distance) P-C4' energy: -184.751 flat angles C4'-P-C4' energy: -190.144 flat angles P-C4'-P energy: -121.920 tors. eta vs tors. theta energy: -270.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -3387.065001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.065001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.065001 (E_RNA) where: Base-Base interactions energy: -2444.319 where: short stacking energy: -952.026 Base-Backbone interact. energy: 0.708 local terms energy: -943.453624 where: bonds (distance) C4'-P energy: -163.870 bonds (distance) P-C4' energy: -166.665 flat angles C4'-P-C4' energy: -208.145 flat angles P-C4'-P energy: -137.964 tors. eta vs tors. theta energy: -266.810 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: 9 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -3242.295494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.295494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.295494 (E_RNA) where: Base-Base interactions energy: -2318.378 where: short stacking energy: -909.989 Base-Backbone interact. energy: 5.842 local terms energy: -929.759867 where: bonds (distance) C4'-P energy: -156.568 bonds (distance) P-C4' energy: -158.809 flat angles C4'-P-C4' energy: -207.531 flat angles P-C4'-P energy: -141.920 tors. eta vs tors. theta energy: -264.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -3132.342392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.342392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.342392 (E_RNA) where: Base-Base interactions energy: -2246.934 where: short stacking energy: -876.539 Base-Backbone interact. energy: 1.754 local terms energy: -887.162323 where: bonds (distance) C4'-P energy: -159.796 bonds (distance) P-C4' energy: -156.315 flat angles C4'-P-C4' energy: -191.801 flat angles P-C4'-P energy: -124.126 tors. eta vs tors. theta energy: -255.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -3115.968865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.968865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.968865 (E_RNA) where: Base-Base interactions energy: -2292.704 where: short stacking energy: -889.082 Base-Backbone interact. energy: -0.958 local terms energy: -822.307170 where: bonds (distance) C4'-P energy: -122.113 bonds (distance) P-C4' energy: -150.329 flat angles C4'-P-C4' energy: -186.327 flat angles P-C4'-P energy: -104.832 tors. eta vs tors. theta energy: -258.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -2831.461077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.461077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.461077 (E_RNA) where: Base-Base interactions energy: -2036.642 where: short stacking energy: -790.140 Base-Backbone interact. energy: -1.232 local terms energy: -793.586939 where: bonds (distance) C4'-P energy: -144.048 bonds (distance) P-C4' energy: -138.173 flat angles C4'-P-C4' energy: -180.132 flat angles P-C4'-P energy: -116.351 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: 10, replica: 2 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -2444.511908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.511908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.511908 (E_RNA) where: Base-Base interactions energy: -1733.378 where: short stacking energy: -685.497 Base-Backbone interact. energy: 1.302 local terms energy: -712.435695 where: bonds (distance) C4'-P energy: -132.199 bonds (distance) P-C4' energy: -146.665 flat angles C4'-P-C4' energy: -156.149 flat angles P-C4'-P energy: -99.775 tors. eta vs tors. theta energy: -177.648 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: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3830.715269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3830.715269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3830.715269 (E_RNA) where: Base-Base interactions energy: -2770.773 where: short stacking energy: -1066.908 Base-Backbone interact. energy: -2.274 local terms energy: -1057.668723 where: bonds (distance) C4'-P energy: -178.062 bonds (distance) P-C4' energy: -194.457 flat angles C4'-P-C4' energy: -231.803 flat angles P-C4'-P energy: -143.124 tors. eta vs tors. theta energy: -310.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -3774.427803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3774.427803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3774.427803 (E_RNA) where: Base-Base interactions energy: -2730.599 where: short stacking energy: -1052.957 Base-Backbone interact. energy: -1.557 local terms energy: -1042.272617 where: bonds (distance) C4'-P energy: -191.144 bonds (distance) P-C4' energy: -181.815 flat angles C4'-P-C4' energy: -212.606 flat angles P-C4'-P energy: -145.223 tors. eta vs tors. theta energy: -311.485 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: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -3592.392276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3592.392276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3592.392276 (E_RNA) where: Base-Base interactions energy: -2600.479 where: short stacking energy: -1012.840 Base-Backbone interact. energy: -2.534 local terms energy: -989.379703 where: bonds (distance) C4'-P energy: -175.611 bonds (distance) P-C4' energy: -176.033 flat angles C4'-P-C4' energy: -200.668 flat angles P-C4'-P energy: -139.923 tors. eta vs tors. theta energy: -297.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -3500.444247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3500.444247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3500.444247 (E_RNA) where: Base-Base interactions energy: -2545.603 where: short stacking energy: -996.596 Base-Backbone interact. energy: 2.573 local terms energy: -957.414014 where: bonds (distance) C4'-P energy: -173.847 bonds (distance) P-C4' energy: -172.455 flat angles C4'-P-C4' energy: -194.494 flat angles P-C4'-P energy: -136.090 tors. eta vs tors. theta energy: -280.528 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: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -3341.015878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3341.015878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3341.015878 (E_RNA) where: Base-Base interactions energy: -2414.356 where: short stacking energy: -941.882 Base-Backbone interact. energy: 0.037 local terms energy: -926.697286 where: bonds (distance) C4'-P energy: -164.030 bonds (distance) P-C4' energy: -164.252 flat angles C4'-P-C4' energy: -191.086 flat angles P-C4'-P energy: -138.311 tors. eta vs tors. theta energy: -269.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -3220.956030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.956030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.956030 (E_RNA) where: Base-Base interactions energy: -2314.330 where: short stacking energy: -926.683 Base-Backbone interact. energy: 0.117 local terms energy: -906.743182 where: bonds (distance) C4'-P energy: -158.788 bonds (distance) P-C4' energy: -148.824 flat angles C4'-P-C4' energy: -210.670 flat angles P-C4'-P energy: -127.528 tors. eta vs tors. theta energy: -260.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -3130.426067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.426067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.426067 (E_RNA) where: Base-Base interactions energy: -2254.081 where: short stacking energy: -872.024 Base-Backbone interact. energy: -0.313 local terms energy: -876.032267 where: bonds (distance) C4'-P energy: -154.433 bonds (distance) P-C4' energy: -155.467 flat angles C4'-P-C4' energy: -186.557 flat angles P-C4'-P energy: -125.605 tors. eta vs tors. theta energy: -253.970 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: 183 Temperature: 1.250000 Total energy: -3092.271922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.271922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.271922 (E_RNA) where: Base-Base interactions energy: -2260.536 where: short stacking energy: -853.380 Base-Backbone interact. energy: 4.346 local terms energy: -836.081506 where: bonds (distance) C4'-P energy: -144.201 bonds (distance) P-C4' energy: -159.044 flat angles C4'-P-C4' energy: -169.340 flat angles P-C4'-P energy: -132.126 tors. eta vs tors. theta energy: -231.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -2831.562852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.562852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.562852 (E_RNA) where: Base-Base interactions energy: -2009.150 where: short stacking energy: -775.767 Base-Backbone interact. energy: 1.214 local terms energy: -823.626884 where: bonds (distance) C4'-P energy: -153.075 bonds (distance) P-C4' energy: -140.418 flat angles C4'-P-C4' energy: -179.911 flat angles P-C4'-P energy: -127.123 tors. eta vs tors. theta energy: -223.100 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: 2 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -2479.340146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.340146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.340146 (E_RNA) where: Base-Base interactions energy: -1778.342 where: short stacking energy: -699.798 Base-Backbone interact. energy: -1.178 local terms energy: -699.819786 where: bonds (distance) C4'-P energy: -158.550 bonds (distance) P-C4' energy: -117.211 flat angles C4'-P-C4' energy: -164.785 flat angles P-C4'-P energy: -69.884 tors. eta vs tors. theta energy: -189.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3840.402158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3840.402158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3840.402158 (E_RNA) where: Base-Base interactions energy: -2773.607 where: short stacking energy: -1064.490 Base-Backbone interact. energy: 2.132 local terms energy: -1068.927480 where: bonds (distance) C4'-P energy: -191.033 bonds (distance) P-C4' energy: -176.688 flat angles C4'-P-C4' energy: -233.553 flat angles P-C4'-P energy: -154.781 tors. eta vs tors. theta energy: -312.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -3727.900359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3727.900359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3727.900359 (E_RNA) where: Base-Base interactions energy: -2737.966 where: short stacking energy: -1036.521 Base-Backbone interact. energy: 1.755 local terms energy: -991.689859 where: bonds (distance) C4'-P energy: -176.564 bonds (distance) P-C4' energy: -154.029 flat angles C4'-P-C4' energy: -222.890 flat angles P-C4'-P energy: -138.523 tors. eta vs tors. theta energy: -299.685 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: 3 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -3560.482453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3560.482453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3560.482453 (E_RNA) where: Base-Base interactions energy: -2598.909 where: short stacking energy: -1030.477 Base-Backbone interact. energy: -1.695 local terms energy: -959.878344 where: bonds (distance) C4'-P energy: -145.892 bonds (distance) P-C4' energy: -166.326 flat angles C4'-P-C4' energy: -200.224 flat angles P-C4'-P energy: -146.938 tors. eta vs tors. theta energy: -300.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -3502.490482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3502.490482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3502.490482 (E_RNA) where: Base-Base interactions energy: -2525.979 where: short stacking energy: -984.788 Base-Backbone interact. energy: -1.364 local terms energy: -975.147781 where: bonds (distance) C4'-P energy: -175.657 bonds (distance) P-C4' energy: -169.964 flat angles C4'-P-C4' energy: -194.655 flat angles P-C4'-P energy: -143.618 tors. eta vs tors. theta energy: -291.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -3379.053264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3379.053264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3379.053264 (E_RNA) where: Base-Base interactions energy: -2468.568 where: short stacking energy: -964.941 Base-Backbone interact. energy: -0.533 local terms energy: -909.951650 where: bonds (distance) C4'-P energy: -156.904 bonds (distance) P-C4' energy: -165.757 flat angles C4'-P-C4' energy: -188.537 flat angles P-C4'-P energy: -125.836 tors. eta vs tors. theta energy: -272.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -3283.413508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.413508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.413508 (E_RNA) where: Base-Base interactions energy: -2364.594 where: short stacking energy: -943.128 Base-Backbone interact. energy: 0.336 local terms energy: -919.155985 where: bonds (distance) C4'-P energy: -152.560 bonds (distance) P-C4' energy: -163.937 flat angles C4'-P-C4' energy: -197.273 flat angles P-C4'-P energy: -123.639 tors. eta vs tors. theta energy: -281.748 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: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -3175.069082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.069082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.069082 (E_RNA) where: Base-Base interactions energy: -2269.088 where: short stacking energy: -893.481 Base-Backbone interact. energy: 1.019 local terms energy: -907.000292 where: bonds (distance) C4'-P energy: -140.138 bonds (distance) P-C4' energy: -175.276 flat angles C4'-P-C4' energy: -180.775 flat angles P-C4'-P energy: -139.720 tors. eta vs tors. theta energy: -271.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -3071.259752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.259752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.259752 (E_RNA) where: Base-Base interactions energy: -2232.172 where: short stacking energy: -871.211 Base-Backbone interact. energy: 1.629 local terms energy: -840.716256 where: bonds (distance) C4'-P energy: -128.964 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -185.453 flat angles P-C4'-P energy: -116.951 tors. eta vs tors. theta energy: -263.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -2851.929228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.929228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.929228 (E_RNA) where: Base-Base interactions energy: -2054.089 where: short stacking energy: -804.539 Base-Backbone interact. energy: 2.819 local terms energy: -800.659739 where: bonds (distance) C4'-P energy: -144.898 bonds (distance) P-C4' energy: -140.027 flat angles C4'-P-C4' energy: -191.522 flat angles P-C4'-P energy: -110.435 tors. eta vs tors. theta energy: -213.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -2510.350063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.350063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.350063 (E_RNA) where: Base-Base interactions energy: -1782.690 where: short stacking energy: -709.855 Base-Backbone interact. energy: 0.245 local terms energy: -727.905008 where: bonds (distance) C4'-P energy: -149.168 bonds (distance) P-C4' energy: -141.823 flat angles C4'-P-C4' energy: -142.345 flat angles P-C4'-P energy: -109.774 tors. eta vs tors. theta energy: -184.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3817.990998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.990998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.990998 (E_RNA) where: Base-Base interactions energy: -2749.446 where: short stacking energy: -1073.178 Base-Backbone interact. energy: -0.292 local terms energy: -1068.252889 where: bonds (distance) C4'-P energy: -198.224 bonds (distance) P-C4' energy: -190.456 flat angles C4'-P-C4' energy: -221.130 flat angles P-C4'-P energy: -143.672 tors. eta vs tors. theta energy: -314.770 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: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -3722.151597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3722.151597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3722.151597 (E_RNA) where: Base-Base interactions energy: -2699.121 where: short stacking energy: -1049.320 Base-Backbone interact. energy: 0.946 local terms energy: -1023.977386 where: bonds (distance) C4'-P energy: -174.877 bonds (distance) P-C4' energy: -182.004 flat angles C4'-P-C4' energy: -212.090 flat angles P-C4'-P energy: -153.365 tors. eta vs tors. theta energy: -301.642 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: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -3569.458480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3569.458480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3569.458480 (E_RNA) where: Base-Base interactions energy: -2551.356 where: short stacking energy: -1004.333 Base-Backbone interact. energy: -1.627 local terms energy: -1016.474948 where: bonds (distance) C4'-P energy: -169.625 bonds (distance) P-C4' energy: -177.741 flat angles C4'-P-C4' energy: -213.126 flat angles P-C4'-P energy: -151.048 tors. eta vs tors. theta energy: -304.934 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: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -3524.377475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3524.377475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3524.377475 (E_RNA) where: Base-Base interactions energy: -2572.929 where: short stacking energy: -978.682 Base-Backbone interact. energy: -3.807 local terms energy: -947.641542 where: bonds (distance) C4'-P energy: -161.193 bonds (distance) P-C4' energy: -168.078 flat angles C4'-P-C4' energy: -195.958 flat angles P-C4'-P energy: -148.926 tors. eta vs tors. theta energy: -273.487 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: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -3392.246024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3392.246024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3392.246024 (E_RNA) where: Base-Base interactions energy: -2442.571 where: short stacking energy: -943.282 Base-Backbone interact. energy: -4.383 local terms energy: -945.291206 where: bonds (distance) C4'-P energy: -172.529 bonds (distance) P-C4' energy: -169.758 flat angles C4'-P-C4' energy: -199.705 flat angles P-C4'-P energy: -131.081 tors. eta vs tors. theta energy: -272.218 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: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -3228.551457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.551457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.551457 (E_RNA) where: Base-Base interactions energy: -2305.020 where: short stacking energy: -906.552 Base-Backbone interact. energy: 1.354 local terms energy: -924.885139 where: bonds (distance) C4'-P energy: -157.681 bonds (distance) P-C4' energy: -178.899 flat angles C4'-P-C4' energy: -184.633 flat angles P-C4'-P energy: -141.323 tors. eta vs tors. theta energy: -262.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -3184.396888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.396888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.396888 (E_RNA) where: Base-Base interactions energy: -2289.529 where: short stacking energy: -910.139 Base-Backbone interact. energy: -0.741 local terms energy: -894.126450 where: bonds (distance) C4'-P energy: -160.778 bonds (distance) P-C4' energy: -158.693 flat angles C4'-P-C4' energy: -185.094 flat angles P-C4'-P energy: -126.860 tors. eta vs tors. theta energy: -262.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -3088.935438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.935438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.935438 (E_RNA) where: Base-Base interactions energy: -2256.538 where: short stacking energy: -898.247 Base-Backbone interact. energy: -1.845 local terms energy: -830.552769 where: bonds (distance) C4'-P energy: -148.276 bonds (distance) P-C4' energy: -141.101 flat angles C4'-P-C4' energy: -171.739 flat angles P-C4'-P energy: -122.085 tors. eta vs tors. theta energy: -247.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -2889.413006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.413006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.413006 (E_RNA) where: Base-Base interactions energy: -2066.182 where: short stacking energy: -808.092 Base-Backbone interact. energy: 6.009 local terms energy: -829.240530 where: bonds (distance) C4'-P energy: -149.358 bonds (distance) P-C4' energy: -143.622 flat angles C4'-P-C4' energy: -200.878 flat angles P-C4'-P energy: -113.811 tors. eta vs tors. theta energy: -221.571 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: 2 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -2514.873009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.873009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.873009 (E_RNA) where: Base-Base interactions energy: -1774.905 where: short stacking energy: -679.008 Base-Backbone interact. energy: -0.521 local terms energy: -739.446765 where: bonds (distance) C4'-P energy: -121.413 bonds (distance) P-C4' energy: -163.867 flat angles C4'-P-C4' energy: -175.834 flat angles P-C4'-P energy: -100.003 tors. eta vs tors. theta energy: -178.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3821.376757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3821.376757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3821.376757 (E_RNA) where: Base-Base interactions energy: -2751.524 where: short stacking energy: -1075.956 Base-Backbone interact. energy: -0.640 local terms energy: -1069.212340 where: bonds (distance) C4'-P energy: -186.945 bonds (distance) P-C4' energy: -182.706 flat angles C4'-P-C4' energy: -225.232 flat angles P-C4'-P energy: -155.593 tors. eta vs tors. theta energy: -318.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -3733.070344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3733.070344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3733.070344 (E_RNA) where: Base-Base interactions energy: -2709.582 where: short stacking energy: -1053.711 Base-Backbone interact. energy: 2.559 local terms energy: -1026.047198 where: bonds (distance) C4'-P energy: -189.785 bonds (distance) P-C4' energy: -166.222 flat angles C4'-P-C4' energy: -214.607 flat angles P-C4'-P energy: -154.119 tors. eta vs tors. theta energy: -301.313 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: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -3614.699276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.699276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.699276 (E_RNA) where: Base-Base interactions energy: -2605.782 where: short stacking energy: -1025.519 Base-Backbone interact. energy: 0.898 local terms energy: -1009.814427 where: bonds (distance) C4'-P energy: -171.875 bonds (distance) P-C4' energy: -168.762 flat angles C4'-P-C4' energy: -211.956 flat angles P-C4'-P energy: -150.327 tors. eta vs tors. theta energy: -306.894 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: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -3552.954107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.954107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.954107 (E_RNA) where: Base-Base interactions energy: -2582.304 where: short stacking energy: -988.100 Base-Backbone interact. energy: 1.854 local terms energy: -972.503898 where: bonds (distance) C4'-P energy: -169.402 bonds (distance) P-C4' energy: -180.775 flat angles C4'-P-C4' energy: -205.980 flat angles P-C4'-P energy: -138.460 tors. eta vs tors. theta energy: -277.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -3406.218408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3406.218408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3406.218408 (E_RNA) where: Base-Base interactions energy: -2473.481 where: short stacking energy: -978.390 Base-Backbone interact. energy: -2.584 local terms energy: -930.153221 where: bonds (distance) C4'-P energy: -141.092 bonds (distance) P-C4' energy: -167.940 flat angles C4'-P-C4' energy: -224.283 flat angles P-C4'-P energy: -125.561 tors. eta vs tors. theta energy: -271.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -3167.420596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.420596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.420596 (E_RNA) where: Base-Base interactions energy: -2322.160 where: short stacking energy: -889.117 Base-Backbone interact. energy: 2.274 local terms energy: -847.534982 where: bonds (distance) C4'-P energy: -145.000 bonds (distance) P-C4' energy: -148.776 flat angles C4'-P-C4' energy: -193.232 flat angles P-C4'-P energy: -111.151 tors. eta vs tors. theta energy: -249.376 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: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -3192.248827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.248827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.248827 (E_RNA) where: Base-Base interactions energy: -2315.984 where: short stacking energy: -903.917 Base-Backbone interact. energy: 0.203 local terms energy: -876.467831 where: bonds (distance) C4'-P energy: -150.652 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -183.357 flat angles P-C4'-P energy: -120.729 tors. eta vs tors. theta energy: -263.644 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: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -3101.572380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.572380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.572380 (E_RNA) where: Base-Base interactions energy: -2270.840 where: short stacking energy: -866.799 Base-Backbone interact. energy: -2.904 local terms energy: -827.827786 where: bonds (distance) C4'-P energy: -155.429 bonds (distance) P-C4' energy: -126.632 flat angles C4'-P-C4' energy: -187.924 flat angles P-C4'-P energy: -111.014 tors. eta vs tors. theta energy: -246.830 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: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -2912.678558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.678558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.678558 (E_RNA) where: Base-Base interactions energy: -2088.386 where: short stacking energy: -802.146 Base-Backbone interact. energy: -1.099 local terms energy: -823.194174 where: bonds (distance) C4'-P energy: -137.271 bonds (distance) P-C4' energy: -159.868 flat angles C4'-P-C4' energy: -180.539 flat angles P-C4'-P energy: -108.407 tors. eta vs tors. theta energy: -237.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -2437.570282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.570282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.570282 (E_RNA) where: Base-Base interactions energy: -1696.120 where: short stacking energy: -652.976 Base-Backbone interact. energy: 0.653 local terms energy: -742.103441 where: bonds (distance) C4'-P energy: -151.178 bonds (distance) P-C4' energy: -155.562 flat angles C4'-P-C4' energy: -160.263 flat angles P-C4'-P energy: -99.521 tors. eta vs tors. theta energy: -175.580 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: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3857.689609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3857.689609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3857.689609 (E_RNA) where: Base-Base interactions energy: -2793.140 where: short stacking energy: -1095.699 Base-Backbone interact. energy: -0.417 local terms energy: -1064.133280 where: bonds (distance) C4'-P energy: -186.193 bonds (distance) P-C4' energy: -178.875 flat angles C4'-P-C4' energy: -232.319 flat angles P-C4'-P energy: -155.058 tors. eta vs tors. theta energy: -311.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -3734.025650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.025650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.025650 (E_RNA) where: Base-Base interactions energy: -2704.592 where: short stacking energy: -1062.492 Base-Backbone interact. energy: -2.132 local terms energy: -1027.302378 where: bonds (distance) C4'-P energy: -168.841 bonds (distance) P-C4' energy: -178.796 flat angles C4'-P-C4' energy: -205.713 flat angles P-C4'-P energy: -160.770 tors. eta vs tors. theta energy: -313.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -3579.641701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3579.641701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3579.641701 (E_RNA) where: Base-Base interactions energy: -2562.599 where: short stacking energy: -1021.317 Base-Backbone interact. energy: -0.092 local terms energy: -1016.951511 where: bonds (distance) C4'-P energy: -182.912 bonds (distance) P-C4' energy: -169.067 flat angles C4'-P-C4' energy: -213.950 flat angles P-C4'-P energy: -159.798 tors. eta vs tors. theta energy: -291.225 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: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -3474.619932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.619932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.619932 (E_RNA) where: Base-Base interactions energy: -2519.023 where: short stacking energy: -973.361 Base-Backbone interact. energy: 1.841 local terms energy: -957.437367 where: bonds (distance) C4'-P energy: -158.819 bonds (distance) P-C4' energy: -168.858 flat angles C4'-P-C4' energy: -209.671 flat angles P-C4'-P energy: -144.057 tors. eta vs tors. theta energy: -276.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -3354.467815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.467815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.467815 (E_RNA) where: Base-Base interactions energy: -2420.633 where: short stacking energy: -940.797 Base-Backbone interact. energy: -1.824 local terms energy: -932.010859 where: bonds (distance) C4'-P energy: -157.082 bonds (distance) P-C4' energy: -171.631 flat angles C4'-P-C4' energy: -207.626 flat angles P-C4'-P energy: -128.948 tors. eta vs tors. theta energy: -266.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -3279.757553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.757553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.757553 (E_RNA) where: Base-Base interactions energy: -2391.773 where: short stacking energy: -947.852 Base-Backbone interact. energy: -1.969 local terms energy: -886.015593 where: bonds (distance) C4'-P energy: -135.545 bonds (distance) P-C4' energy: -150.223 flat angles C4'-P-C4' energy: -210.133 flat angles P-C4'-P energy: -107.239 tors. eta vs tors. theta energy: -282.876 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: 7 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -3139.691276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.691276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.691276 (E_RNA) where: Base-Base interactions energy: -2275.742 where: short stacking energy: -889.527 Base-Backbone interact. energy: 0.760 local terms energy: -864.708384 where: bonds (distance) C4'-P energy: -161.415 bonds (distance) P-C4' energy: -146.309 flat angles C4'-P-C4' energy: -176.265 flat angles P-C4'-P energy: -132.506 tors. eta vs tors. theta energy: -248.214 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: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -3079.803473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.803473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.803473 (E_RNA) where: Base-Base interactions energy: -2255.976 where: short stacking energy: -884.042 Base-Backbone interact. energy: -1.413 local terms energy: -822.413881 where: bonds (distance) C4'-P energy: -126.567 bonds (distance) P-C4' energy: -152.091 flat angles C4'-P-C4' energy: -177.352 flat angles P-C4'-P energy: -117.243 tors. eta vs tors. theta energy: -249.161 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: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -2948.257852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.257852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.257852 (E_RNA) where: Base-Base interactions energy: -2114.137 where: short stacking energy: -818.761 Base-Backbone interact. energy: 3.777 local terms energy: -837.897883 where: bonds (distance) C4'-P energy: -118.695 bonds (distance) P-C4' energy: -182.465 flat angles C4'-P-C4' energy: -175.541 flat angles P-C4'-P energy: -130.413 tors. eta vs tors. theta energy: -230.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -2450.756653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.756653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.756653 (E_RNA) where: Base-Base interactions energy: -1734.846 where: short stacking energy: -688.086 Base-Backbone interact. energy: -0.756 local terms energy: -715.154233 where: bonds (distance) C4'-P energy: -140.430 bonds (distance) P-C4' energy: -148.513 flat angles C4'-P-C4' energy: -157.717 flat angles P-C4'-P energy: -89.941 tors. eta vs tors. theta energy: -178.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3831.357355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3831.357355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3831.357355 (E_RNA) where: Base-Base interactions energy: -2751.898 where: short stacking energy: -1066.440 Base-Backbone interact. energy: -2.808 local terms energy: -1076.651362 where: bonds (distance) C4'-P energy: -179.402 bonds (distance) P-C4' energy: -190.875 flat angles C4'-P-C4' energy: -240.983 flat angles P-C4'-P energy: -147.050 tors. eta vs tors. theta energy: -318.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -3737.843291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3737.843291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3737.843291 (E_RNA) where: Base-Base interactions energy: -2705.553 where: short stacking energy: -1049.128 Base-Backbone interact. energy: -1.540 local terms energy: -1030.749797 where: bonds (distance) C4'-P energy: -181.884 bonds (distance) P-C4' energy: -186.198 flat angles C4'-P-C4' energy: -216.848 flat angles P-C4'-P energy: -143.528 tors. eta vs tors. theta energy: -302.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -3563.199814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3563.199814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3563.199814 (E_RNA) where: Base-Base interactions energy: -2575.493 where: short stacking energy: -1036.515 Base-Backbone interact. energy: -1.282 local terms energy: -986.424761 where: bonds (distance) C4'-P energy: -178.514 bonds (distance) P-C4' energy: -160.167 flat angles C4'-P-C4' energy: -214.122 flat angles P-C4'-P energy: -143.434 tors. eta vs tors. theta energy: -290.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -3491.385675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3491.385675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3491.385675 (E_RNA) where: Base-Base interactions energy: -2543.066 where: short stacking energy: -1003.531 Base-Backbone interact. energy: 1.370 local terms energy: -949.690043 where: bonds (distance) C4'-P energy: -136.709 bonds (distance) P-C4' energy: -180.302 flat angles C4'-P-C4' energy: -201.449 flat angles P-C4'-P energy: -157.173 tors. eta vs tors. theta energy: -274.057 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: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -3391.815593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3391.815593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3391.815593 (E_RNA) where: Base-Base interactions energy: -2456.103 where: short stacking energy: -956.652 Base-Backbone interact. energy: -2.002 local terms energy: -933.710144 where: bonds (distance) C4'-P energy: -156.914 bonds (distance) P-C4' energy: -169.548 flat angles C4'-P-C4' energy: -190.427 flat angles P-C4'-P energy: -141.004 tors. eta vs tors. theta energy: -275.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -3254.858322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.858322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.858322 (E_RNA) where: Base-Base interactions energy: -2354.057 where: short stacking energy: -934.088 Base-Backbone interact. energy: -2.419 local terms energy: -898.383115 where: bonds (distance) C4'-P energy: -141.290 bonds (distance) P-C4' energy: -162.923 flat angles C4'-P-C4' energy: -201.628 flat angles P-C4'-P energy: -123.227 tors. eta vs tors. theta energy: -269.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -3168.280044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.280044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.280044 (E_RNA) where: Base-Base interactions energy: -2286.188 where: short stacking energy: -902.499 Base-Backbone interact. energy: -3.839 local terms energy: -878.252529 where: bonds (distance) C4'-P energy: -151.383 bonds (distance) P-C4' energy: -140.156 flat angles C4'-P-C4' energy: -179.998 flat angles P-C4'-P energy: -136.343 tors. eta vs tors. theta energy: -270.372 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: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -3089.231595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.231595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.231595 (E_RNA) where: Base-Base interactions energy: -2229.595 where: short stacking energy: -861.258 Base-Backbone interact. energy: -1.419 local terms energy: -858.217966 where: bonds (distance) C4'-P energy: -148.518 bonds (distance) P-C4' energy: -154.556 flat angles C4'-P-C4' energy: -193.058 flat angles P-C4'-P energy: -119.751 tors. eta vs tors. theta energy: -242.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -2956.874098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.874098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.874098 (E_RNA) where: Base-Base interactions energy: -2112.982 where: short stacking energy: -834.182 Base-Backbone interact. energy: -0.866 local terms energy: -843.025638 where: bonds (distance) C4'-P energy: -162.300 bonds (distance) P-C4' energy: -154.741 flat angles C4'-P-C4' energy: -179.372 flat angles P-C4'-P energy: -112.102 tors. eta vs tors. theta energy: -234.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -2406.202560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.202560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.202560 (E_RNA) where: Base-Base interactions energy: -1703.094 where: short stacking energy: -695.464 Base-Backbone interact. energy: -1.627 local terms energy: -701.481544 where: bonds (distance) C4'-P energy: -136.544 bonds (distance) P-C4' energy: -157.035 flat angles C4'-P-C4' energy: -151.827 flat angles P-C4'-P energy: -95.355 tors. eta vs tors. theta energy: -160.720 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: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3865.024956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3865.024956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3865.024956 (E_RNA) where: Base-Base interactions energy: -2799.205 where: short stacking energy: -1105.709 Base-Backbone interact. energy: -2.349 local terms energy: -1063.470806 where: bonds (distance) C4'-P energy: -184.123 bonds (distance) P-C4' energy: -189.771 flat angles C4'-P-C4' energy: -231.028 flat angles P-C4'-P energy: -146.901 tors. eta vs tors. theta energy: -311.648 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: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -3755.772328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.772328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.772328 (E_RNA) where: Base-Base interactions energy: -2726.962 where: short stacking energy: -1062.840 Base-Backbone interact. energy: 0.147 local terms energy: -1028.957514 where: bonds (distance) C4'-P energy: -192.320 bonds (distance) P-C4' energy: -162.592 flat angles C4'-P-C4' energy: -216.096 flat angles P-C4'-P energy: -149.525 tors. eta vs tors. theta energy: -308.425 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: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -3586.380384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3586.380384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3586.380384 (E_RNA) where: Base-Base interactions energy: -2586.986 where: short stacking energy: -1005.223 Base-Backbone interact. energy: -2.513 local terms energy: -996.881167 where: bonds (distance) C4'-P energy: -152.633 bonds (distance) P-C4' energy: -181.825 flat angles C4'-P-C4' energy: -208.647 flat angles P-C4'-P energy: -159.191 tors. eta vs tors. theta energy: -294.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -3491.153807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3491.153807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3491.153807 (E_RNA) where: Base-Base interactions energy: -2534.564 where: short stacking energy: -977.030 Base-Backbone interact. energy: 3.020 local terms energy: -959.609029 where: bonds (distance) C4'-P energy: -170.980 bonds (distance) P-C4' energy: -174.906 flat angles C4'-P-C4' energy: -198.186 flat angles P-C4'-P energy: -148.681 tors. eta vs tors. theta energy: -266.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -3413.631136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3413.631136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3413.631136 (E_RNA) where: Base-Base interactions energy: -2478.043 where: short stacking energy: -979.300 Base-Backbone interact. energy: 1.082 local terms energy: -936.670616 where: bonds (distance) C4'-P energy: -166.335 bonds (distance) P-C4' energy: -153.895 flat angles C4'-P-C4' energy: -205.501 flat angles P-C4'-P energy: -138.667 tors. eta vs tors. theta energy: -272.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -3232.377741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.377741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.377741 (E_RNA) where: Base-Base interactions energy: -2366.583 where: short stacking energy: -923.288 Base-Backbone interact. energy: 2.637 local terms energy: -868.431926 where: bonds (distance) C4'-P energy: -141.034 bonds (distance) P-C4' energy: -138.424 flat angles C4'-P-C4' energy: -192.655 flat angles P-C4'-P energy: -130.096 tors. eta vs tors. theta energy: -266.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -3190.024431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.024431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.024431 (E_RNA) where: Base-Base interactions energy: -2320.896 where: short stacking energy: -917.893 Base-Backbone interact. energy: -1.940 local terms energy: -867.189066 where: bonds (distance) C4'-P energy: -132.224 bonds (distance) P-C4' energy: -135.081 flat angles C4'-P-C4' energy: -213.099 flat angles P-C4'-P energy: -117.725 tors. eta vs tors. theta energy: -269.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -3137.205145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.205145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.205145 (E_RNA) where: Base-Base interactions energy: -2280.784 where: short stacking energy: -888.835 Base-Backbone interact. energy: -3.715 local terms energy: -852.706443 where: bonds (distance) C4'-P energy: -153.072 bonds (distance) P-C4' energy: -161.332 flat angles C4'-P-C4' energy: -177.862 flat angles P-C4'-P energy: -119.467 tors. eta vs tors. theta energy: -240.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -2944.626260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.626260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.626260 (E_RNA) where: Base-Base interactions energy: -2109.422 where: short stacking energy: -815.562 Base-Backbone interact. energy: 0.403 local terms energy: -835.607789 where: bonds (distance) C4'-P energy: -160.869 bonds (distance) P-C4' energy: -136.253 flat angles C4'-P-C4' energy: -186.714 flat angles P-C4'-P energy: -107.475 tors. eta vs tors. theta energy: -244.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -2412.863379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.863379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.863379 (E_RNA) where: Base-Base interactions energy: -1682.836 where: short stacking energy: -666.475 Base-Backbone interact. energy: 0.435 local terms energy: -730.462258 where: bonds (distance) C4'-P energy: -149.507 bonds (distance) P-C4' energy: -144.422 flat angles C4'-P-C4' energy: -163.467 flat angles P-C4'-P energy: -102.437 tors. eta vs tors. theta energy: -170.630 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: 1, replica: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3846.731949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3846.731949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3846.731949 (E_RNA) where: Base-Base interactions energy: -2784.597 where: short stacking energy: -1098.372 Base-Backbone interact. energy: -1.555 local terms energy: -1060.580284 where: bonds (distance) C4'-P energy: -176.864 bonds (distance) P-C4' energy: -190.795 flat angles C4'-P-C4' energy: -215.095 flat angles P-C4'-P energy: -155.860 tors. eta vs tors. theta energy: -321.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -3745.078981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3745.078981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3745.078981 (E_RNA) where: Base-Base interactions energy: -2720.887 where: short stacking energy: -1072.231 Base-Backbone interact. energy: -2.983 local terms energy: -1021.208853 where: bonds (distance) C4'-P energy: -162.872 bonds (distance) P-C4' energy: -185.427 flat angles C4'-P-C4' energy: -220.456 flat angles P-C4'-P energy: -150.943 tors. eta vs tors. theta energy: -301.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -3573.854501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3573.854501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3573.854501 (E_RNA) where: Base-Base interactions energy: -2592.146 where: short stacking energy: -996.004 Base-Backbone interact. energy: -0.397 local terms energy: -981.310977 where: bonds (distance) C4'-P energy: -162.215 bonds (distance) P-C4' energy: -179.232 flat angles C4'-P-C4' energy: -209.599 flat angles P-C4'-P energy: -142.962 tors. eta vs tors. theta energy: -287.302 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: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -3525.640906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.640906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.640906 (E_RNA) where: Base-Base interactions energy: -2547.858 where: short stacking energy: -1007.992 Base-Backbone interact. energy: -0.280 local terms energy: -977.502834 where: bonds (distance) C4'-P energy: -169.196 bonds (distance) P-C4' energy: -153.723 flat angles C4'-P-C4' energy: -216.275 flat angles P-C4'-P energy: -131.818 tors. eta vs tors. theta energy: -306.490 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: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -3396.694403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.694403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.694403 (E_RNA) where: Base-Base interactions energy: -2459.776 where: short stacking energy: -956.192 Base-Backbone interact. energy: -0.959 local terms energy: -935.960320 where: bonds (distance) C4'-P energy: -163.459 bonds (distance) P-C4' energy: -151.894 flat angles C4'-P-C4' energy: -205.311 flat angles P-C4'-P energy: -139.043 tors. eta vs tors. theta energy: -276.255 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: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -3258.717101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.717101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.717101 (E_RNA) where: Base-Base interactions energy: -2342.873 where: short stacking energy: -936.174 Base-Backbone interact. energy: -1.721 local terms energy: -914.122780 where: bonds (distance) C4'-P energy: -168.450 bonds (distance) P-C4' energy: -164.806 flat angles C4'-P-C4' energy: -195.878 flat angles P-C4'-P energy: -116.326 tors. eta vs tors. theta energy: -268.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -3140.331383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.331383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.331383 (E_RNA) where: Base-Base interactions energy: -2272.838 where: short stacking energy: -880.143 Base-Backbone interact. energy: -2.088 local terms energy: -865.404769 where: bonds (distance) C4'-P energy: -153.165 bonds (distance) P-C4' energy: -144.003 flat angles C4'-P-C4' energy: -192.041 flat angles P-C4'-P energy: -128.680 tors. eta vs tors. theta energy: -247.516 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: 190 Temperature: 1.250000 Total energy: -3088.013569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.013569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.013569 (E_RNA) where: Base-Base interactions energy: -2272.619 where: short stacking energy: -886.088 Base-Backbone interact. energy: -0.181 local terms energy: -815.213502 where: bonds (distance) C4'-P energy: -141.023 bonds (distance) P-C4' energy: -126.855 flat angles C4'-P-C4' energy: -181.240 flat angles P-C4'-P energy: -111.585 tors. eta vs tors. theta energy: -254.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -2897.535200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.535200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.535200 (E_RNA) where: Base-Base interactions energy: -2101.142 where: short stacking energy: -808.337 Base-Backbone interact. energy: -2.023 local terms energy: -794.370807 where: bonds (distance) C4'-P energy: -141.296 bonds (distance) P-C4' energy: -132.431 flat angles C4'-P-C4' energy: -176.658 flat angles P-C4'-P energy: -108.088 tors. eta vs tors. theta energy: -235.897 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: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -2432.387604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.387604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.387604 (E_RNA) where: Base-Base interactions energy: -1724.862 where: short stacking energy: -687.159 Base-Backbone interact. energy: 2.771 local terms energy: -710.296561 where: bonds (distance) C4'-P energy: -129.192 bonds (distance) P-C4' energy: -147.605 flat angles C4'-P-C4' energy: -159.357 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -185.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3818.175196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3818.175196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3818.175196 (E_RNA) where: Base-Base interactions energy: -2756.723 where: short stacking energy: -1076.818 Base-Backbone interact. energy: -2.316 local terms energy: -1059.136610 where: bonds (distance) C4'-P energy: -180.901 bonds (distance) P-C4' energy: -168.183 flat angles C4'-P-C4' energy: -228.773 flat angles P-C4'-P energy: -168.274 tors. eta vs tors. theta energy: -313.005 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: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -3710.611570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3710.611570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3710.611570 (E_RNA) where: Base-Base interactions energy: -2680.428 where: short stacking energy: -1044.298 Base-Backbone interact. energy: 2.373 local terms energy: -1032.556567 where: bonds (distance) C4'-P energy: -174.202 bonds (distance) P-C4' energy: -169.760 flat angles C4'-P-C4' energy: -228.104 flat angles P-C4'-P energy: -158.750 tors. eta vs tors. theta energy: -301.741 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: 191 Temperature: 1.000000 Total energy: -3599.251977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3599.251977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3599.251977 (E_RNA) where: Base-Base interactions energy: -2609.977 where: short stacking energy: -1019.556 Base-Backbone interact. energy: -2.378 local terms energy: -986.896622 where: bonds (distance) C4'-P energy: -169.432 bonds (distance) P-C4' energy: -163.382 flat angles C4'-P-C4' energy: -207.369 flat angles P-C4'-P energy: -153.570 tors. eta vs tors. theta energy: -293.144 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: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -3501.613132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3501.613132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3501.613132 (E_RNA) where: Base-Base interactions energy: -2544.434 where: short stacking energy: -1016.987 Base-Backbone interact. energy: -2.529 local terms energy: -954.650104 where: bonds (distance) C4'-P energy: -152.344 bonds (distance) P-C4' energy: -164.810 flat angles C4'-P-C4' energy: -201.352 flat angles P-C4'-P energy: -140.035 tors. eta vs tors. theta energy: -296.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -3390.307971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3390.307971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3390.307971 (E_RNA) where: Base-Base interactions energy: -2460.087 where: short stacking energy: -968.801 Base-Backbone interact. energy: 0.990 local terms energy: -931.210604 where: bonds (distance) C4'-P energy: -149.844 bonds (distance) P-C4' energy: -168.765 flat angles C4'-P-C4' energy: -191.479 flat angles P-C4'-P energy: -139.050 tors. eta vs tors. theta energy: -282.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -3269.187742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.187742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.187742 (E_RNA) where: Base-Base interactions energy: -2343.909 where: short stacking energy: -916.870 Base-Backbone interact. energy: 0.481 local terms energy: -925.760030 where: bonds (distance) C4'-P energy: -146.412 bonds (distance) P-C4' energy: -166.232 flat angles C4'-P-C4' energy: -208.145 flat angles P-C4'-P energy: -131.289 tors. eta vs tors. theta energy: -273.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -3190.607038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.607038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.607038 (E_RNA) where: Base-Base interactions energy: -2299.944 where: short stacking energy: -889.355 Base-Backbone interact. energy: 2.999 local terms energy: -893.662230 where: bonds (distance) C4'-P energy: -141.603 bonds (distance) P-C4' energy: -152.191 flat angles C4'-P-C4' energy: -193.730 flat angles P-C4'-P energy: -141.092 tors. eta vs tors. theta energy: -265.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -3108.253928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.253928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.253928 (E_RNA) where: Base-Base interactions energy: -2251.711 where: short stacking energy: -884.513 Base-Backbone interact. energy: 4.382 local terms energy: -860.924842 where: bonds (distance) C4'-P energy: -149.619 bonds (distance) P-C4' energy: -157.511 flat angles C4'-P-C4' energy: -188.292 flat angles P-C4'-P energy: -105.619 tors. eta vs tors. theta energy: -259.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -2920.588926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.588926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.588926 (E_RNA) where: Base-Base interactions energy: -2127.938 where: short stacking energy: -831.222 Base-Backbone interact. energy: 0.088 local terms energy: -792.738811 where: bonds (distance) C4'-P energy: -145.732 bonds (distance) P-C4' energy: -138.816 flat angles C4'-P-C4' energy: -179.720 flat angles P-C4'-P energy: -98.756 tors. eta vs tors. theta energy: -229.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -2452.415759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.415759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.415759 (E_RNA) where: Base-Base interactions energy: -1758.126 where: short stacking energy: -715.933 Base-Backbone interact. energy: -3.367 local terms energy: -690.922403 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -121.355 flat angles C4'-P-C4' energy: -152.971 flat angles P-C4'-P energy: -102.451 tors. eta vs tors. theta energy: -171.602 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: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3830.406502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3830.406502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3830.406502 (E_RNA) where: Base-Base interactions energy: -2805.809 where: short stacking energy: -1083.823 Base-Backbone interact. energy: -0.128 local terms energy: -1024.468903 where: bonds (distance) C4'-P energy: -175.682 bonds (distance) P-C4' energy: -182.719 flat angles C4'-P-C4' energy: -220.517 flat angles P-C4'-P energy: -143.345 tors. eta vs tors. theta energy: -302.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -3731.731253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3731.731253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3731.731253 (E_RNA) where: Base-Base interactions energy: -2688.776 where: short stacking energy: -1050.215 Base-Backbone interact. energy: -1.551 local terms energy: -1041.403620 where: bonds (distance) C4'-P energy: -178.970 bonds (distance) P-C4' energy: -179.559 flat angles C4'-P-C4' energy: -217.838 flat angles P-C4'-P energy: -155.756 tors. eta vs tors. theta energy: -309.280 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: 192 Temperature: 1.000000 Total energy: -3603.006741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3603.006741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3603.006741 (E_RNA) where: Base-Base interactions energy: -2611.574 where: short stacking energy: -1000.109 Base-Backbone interact. energy: 1.002 local terms energy: -992.434935 where: bonds (distance) C4'-P energy: -158.746 bonds (distance) P-C4' energy: -181.794 flat angles C4'-P-C4' energy: -209.355 flat angles P-C4'-P energy: -153.025 tors. eta vs tors. theta energy: -289.515 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: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -3474.557743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.557743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.557743 (E_RNA) where: Base-Base interactions energy: -2528.130 where: short stacking energy: -992.079 Base-Backbone interact. energy: 2.459 local terms energy: -948.886098 where: bonds (distance) C4'-P energy: -145.416 bonds (distance) P-C4' energy: -161.640 flat angles C4'-P-C4' energy: -212.473 flat angles P-C4'-P energy: -131.302 tors. eta vs tors. theta energy: -298.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -3402.488388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3402.488388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3402.488388 (E_RNA) where: Base-Base interactions energy: -2456.325 where: short stacking energy: -948.486 Base-Backbone interact. energy: -3.228 local terms energy: -942.935426 where: bonds (distance) C4'-P energy: -165.748 bonds (distance) P-C4' energy: -174.152 flat angles C4'-P-C4' energy: -195.245 flat angles P-C4'-P energy: -122.444 tors. eta vs tors. theta energy: -285.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -3251.433810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.433810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.433810 (E_RNA) where: Base-Base interactions energy: -2330.520 where: short stacking energy: -903.226 Base-Backbone interact. energy: -1.017 local terms energy: -919.897169 where: bonds (distance) C4'-P energy: -155.954 bonds (distance) P-C4' energy: -156.836 flat angles C4'-P-C4' energy: -189.949 flat angles P-C4'-P energy: -140.386 tors. eta vs tors. theta energy: -276.772 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: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -3236.545518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.545518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.545518 (E_RNA) where: Base-Base interactions energy: -2360.954 where: short stacking energy: -936.298 Base-Backbone interact. energy: -0.340 local terms energy: -875.251996 where: bonds (distance) C4'-P energy: -129.446 bonds (distance) P-C4' energy: -152.911 flat angles C4'-P-C4' energy: -192.970 flat angles P-C4'-P energy: -127.485 tors. eta vs tors. theta energy: -272.440 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: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -3134.159751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.159751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.159751 (E_RNA) where: Base-Base interactions energy: -2258.593 where: short stacking energy: -885.877 Base-Backbone interact. energy: -2.334 local terms energy: -873.232781 where: bonds (distance) C4'-P energy: -137.925 bonds (distance) P-C4' energy: -158.310 flat angles C4'-P-C4' energy: -195.828 flat angles P-C4'-P energy: -116.904 tors. eta vs tors. theta energy: -264.267 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: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -2999.354810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.354810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.354810 (E_RNA) where: Base-Base interactions energy: -2145.627 where: short stacking energy: -837.893 Base-Backbone interact. energy: -0.036 local terms energy: -853.692033 where: bonds (distance) C4'-P energy: -153.280 bonds (distance) P-C4' energy: -138.902 flat angles C4'-P-C4' energy: -194.506 flat angles P-C4'-P energy: -124.082 tors. eta vs tors. theta energy: -242.921 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: 10, replica: 2 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -2380.055783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.055783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.055783 (E_RNA) where: Base-Base interactions energy: -1675.263 where: short stacking energy: -649.565 Base-Backbone interact. energy: 3.449 local terms energy: -708.242083 where: bonds (distance) C4'-P energy: -138.186 bonds (distance) P-C4' energy: -164.705 flat angles C4'-P-C4' energy: -147.455 flat angles P-C4'-P energy: -94.270 tors. eta vs tors. theta energy: -163.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3808.331170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3808.331170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3808.331170 (E_RNA) where: Base-Base interactions energy: -2764.317 where: short stacking energy: -1073.302 Base-Backbone interact. energy: -0.037 local terms energy: -1043.977044 where: bonds (distance) C4'-P energy: -175.652 bonds (distance) P-C4' energy: -180.396 flat angles C4'-P-C4' energy: -237.138 flat angles P-C4'-P energy: -142.697 tors. eta vs tors. theta energy: -308.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -3734.016289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.016289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.016289 (E_RNA) where: Base-Base interactions energy: -2733.993 where: short stacking energy: -1070.252 Base-Backbone interact. energy: -2.472 local terms energy: -997.551119 where: bonds (distance) C4'-P energy: -162.892 bonds (distance) P-C4' energy: -169.753 flat angles C4'-P-C4' energy: -215.510 flat angles P-C4'-P energy: -143.384 tors. eta vs tors. theta energy: -306.012 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: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -3572.777466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3572.777466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3572.777466 (E_RNA) where: Base-Base interactions energy: -2578.724 where: short stacking energy: -1016.166 Base-Backbone interact. energy: -1.896 local terms energy: -992.157236 where: bonds (distance) C4'-P energy: -186.421 bonds (distance) P-C4' energy: -160.379 flat angles C4'-P-C4' energy: -205.911 flat angles P-C4'-P energy: -154.960 tors. eta vs tors. theta energy: -284.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -3491.626190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3491.626190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3491.626190 (E_RNA) where: Base-Base interactions energy: -2511.752 where: short stacking energy: -970.770 Base-Backbone interact. energy: -1.488 local terms energy: -978.386268 where: bonds (distance) C4'-P energy: -163.765 bonds (distance) P-C4' energy: -178.979 flat angles C4'-P-C4' energy: -207.759 flat angles P-C4'-P energy: -142.916 tors. eta vs tors. theta energy: -284.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -3396.499791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.499791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.499791 (E_RNA) where: Base-Base interactions energy: -2457.503 where: short stacking energy: -950.295 Base-Backbone interact. energy: 1.957 local terms energy: -940.953506 where: bonds (distance) C4'-P energy: -175.510 bonds (distance) P-C4' energy: -154.780 flat angles C4'-P-C4' energy: -206.798 flat angles P-C4'-P energy: -136.607 tors. eta vs tors. theta energy: -267.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -3261.282858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.282858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.282858 (E_RNA) where: Base-Base interactions energy: -2354.474 where: short stacking energy: -931.927 Base-Backbone interact. energy: -0.125 local terms energy: -906.684345 where: bonds (distance) C4'-P energy: -162.196 bonds (distance) P-C4' energy: -152.488 flat angles C4'-P-C4' energy: -202.233 flat angles P-C4'-P energy: -118.367 tors. eta vs tors. theta energy: -271.400 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: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -3205.754262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.754262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.754262 (E_RNA) where: Base-Base interactions energy: -2328.558 where: short stacking energy: -928.859 Base-Backbone interact. energy: 3.093 local terms energy: -880.289426 where: bonds (distance) C4'-P energy: -163.711 bonds (distance) P-C4' energy: -148.702 flat angles C4'-P-C4' energy: -172.938 flat angles P-C4'-P energy: -129.624 tors. eta vs tors. theta energy: -265.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -3089.303371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.303371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.303371 (E_RNA) where: Base-Base interactions energy: -2221.277 where: short stacking energy: -878.913 Base-Backbone interact. energy: 1.109 local terms energy: -869.135041 where: bonds (distance) C4'-P energy: -139.326 bonds (distance) P-C4' energy: -153.050 flat angles C4'-P-C4' energy: -188.476 flat angles P-C4'-P energy: -122.609 tors. eta vs tors. theta energy: -265.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -3034.002832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.002832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.002832 (E_RNA) where: Base-Base interactions energy: -2217.894 where: short stacking energy: -890.561 Base-Backbone interact. energy: -0.688 local terms energy: -815.421107 where: bonds (distance) C4'-P energy: -135.773 bonds (distance) P-C4' energy: -111.857 flat angles C4'-P-C4' energy: -178.851 flat angles P-C4'-P energy: -137.816 tors. eta vs tors. theta energy: -251.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -2451.304067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.304067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.304067 (E_RNA) where: Base-Base interactions energy: -1754.296 where: short stacking energy: -686.629 Base-Backbone interact. energy: 8.603 local terms energy: -705.610761 where: bonds (distance) C4'-P energy: -127.569 bonds (distance) P-C4' energy: -163.341 flat angles C4'-P-C4' energy: -158.585 flat angles P-C4'-P energy: -86.905 tors. eta vs tors. theta energy: -169.210 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: 1, replica: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3812.409736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3812.409736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3812.409736 (E_RNA) where: Base-Base interactions energy: -2752.797 where: short stacking energy: -1080.326 Base-Backbone interact. energy: -1.174 local terms energy: -1058.438576 where: bonds (distance) C4'-P energy: -193.655 bonds (distance) P-C4' energy: -184.255 flat angles C4'-P-C4' energy: -217.017 flat angles P-C4'-P energy: -146.611 tors. eta vs tors. theta energy: -316.901 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: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -3741.697862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3741.697862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3741.697862 (E_RNA) where: Base-Base interactions energy: -2704.305 where: short stacking energy: -1073.065 Base-Backbone interact. energy: -3.331 local terms energy: -1034.061956 where: bonds (distance) C4'-P energy: -171.615 bonds (distance) P-C4' energy: -177.011 flat angles C4'-P-C4' energy: -215.244 flat angles P-C4'-P energy: -160.370 tors. eta vs tors. theta energy: -309.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -3543.197799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3543.197799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3543.197799 (E_RNA) where: Base-Base interactions energy: -2579.859 where: short stacking energy: -983.237 Base-Backbone interact. energy: -2.718 local terms energy: -960.620474 where: bonds (distance) C4'-P energy: -181.275 bonds (distance) P-C4' energy: -175.541 flat angles C4'-P-C4' energy: -185.813 flat angles P-C4'-P energy: -130.124 tors. eta vs tors. theta energy: -287.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -3466.683323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3466.683323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3466.683323 (E_RNA) where: Base-Base interactions energy: -2489.904 where: short stacking energy: -973.171 Base-Backbone interact. energy: -2.799 local terms energy: -973.980231 where: bonds (distance) C4'-P energy: -164.749 bonds (distance) P-C4' energy: -168.518 flat angles C4'-P-C4' energy: -211.953 flat angles P-C4'-P energy: -138.698 tors. eta vs tors. theta energy: -290.062 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: 5, replica: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -3422.614521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3422.614521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3422.614521 (E_RNA) where: Base-Base interactions energy: -2477.695 where: short stacking energy: -962.720 Base-Backbone interact. energy: -0.346 local terms energy: -944.572842 where: bonds (distance) C4'-P energy: -157.354 bonds (distance) P-C4' energy: -159.355 flat angles C4'-P-C4' energy: -212.852 flat angles P-C4'-P energy: -140.163 tors. eta vs tors. theta energy: -274.849 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: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -3284.814346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.814346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.814346 (E_RNA) where: Base-Base interactions energy: -2355.605 where: short stacking energy: -915.511 Base-Backbone interact. energy: 0.722 local terms energy: -929.931321 where: bonds (distance) C4'-P energy: -164.589 bonds (distance) P-C4' energy: -173.558 flat angles C4'-P-C4' energy: -185.449 flat angles P-C4'-P energy: -146.232 tors. eta vs tors. theta energy: -260.103 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: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -3186.414471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.414471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.414471 (E_RNA) where: Base-Base interactions energy: -2307.576 where: short stacking energy: -913.133 Base-Backbone interact. energy: -0.539 local terms energy: -878.299221 where: bonds (distance) C4'-P energy: -151.827 bonds (distance) P-C4' energy: -152.666 flat angles C4'-P-C4' energy: -183.014 flat angles P-C4'-P energy: -129.562 tors. eta vs tors. theta energy: -261.230 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: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -3138.995457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.995457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.995457 (E_RNA) where: Base-Base interactions energy: -2265.799 where: short stacking energy: -900.431 Base-Backbone interact. energy: -0.020 local terms energy: -873.176833 where: bonds (distance) C4'-P energy: -142.292 bonds (distance) P-C4' energy: -143.601 flat angles C4'-P-C4' energy: -195.475 flat angles P-C4'-P energy: -130.932 tors. eta vs tors. theta energy: -260.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -3043.154770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.154770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.154770 (E_RNA) where: Base-Base interactions energy: -2218.961 where: short stacking energy: -868.076 Base-Backbone interact. energy: 1.956 local terms energy: -826.150032 where: bonds (distance) C4'-P energy: -148.178 bonds (distance) P-C4' energy: -126.493 flat angles C4'-P-C4' energy: -185.046 flat angles P-C4'-P energy: -117.996 tors. eta vs tors. theta energy: -248.437 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: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -2433.083417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.083417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.083417 (E_RNA) where: Base-Base interactions energy: -1726.939 where: short stacking energy: -671.592 Base-Backbone interact. energy: 7.053 local terms energy: -713.196975 where: bonds (distance) C4'-P energy: -131.680 bonds (distance) P-C4' energy: -154.423 flat angles C4'-P-C4' energy: -165.460 flat angles P-C4'-P energy: -93.848 tors. eta vs tors. theta energy: -167.786 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: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3857.658124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3857.658124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3857.658124 (E_RNA) where: Base-Base interactions energy: -2814.349 where: short stacking energy: -1084.677 Base-Backbone interact. energy: -0.534 local terms energy: -1042.774562 where: bonds (distance) C4'-P energy: -175.620 bonds (distance) P-C4' energy: -178.827 flat angles C4'-P-C4' energy: -229.200 flat angles P-C4'-P energy: -151.859 tors. eta vs tors. theta energy: -307.269 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: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -3750.907548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3750.907548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3750.907548 (E_RNA) where: Base-Base interactions energy: -2739.340 where: short stacking energy: -1067.561 Base-Backbone interact. energy: 0.571 local terms energy: -1012.138686 where: bonds (distance) C4'-P energy: -190.874 bonds (distance) P-C4' energy: -165.878 flat angles C4'-P-C4' energy: -201.595 flat angles P-C4'-P energy: -144.470 tors. eta vs tors. theta energy: -309.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -3551.508856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3551.508856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3551.508856 (E_RNA) where: Base-Base interactions energy: -2578.576 where: short stacking energy: -1011.587 Base-Backbone interact. energy: -0.165 local terms energy: -972.768444 where: bonds (distance) C4'-P energy: -154.603 bonds (distance) P-C4' energy: -184.068 flat angles C4'-P-C4' energy: -206.171 flat angles P-C4'-P energy: -140.020 tors. eta vs tors. theta energy: -287.906 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: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -3500.628366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3500.628366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3500.628366 (E_RNA) where: Base-Base interactions energy: -2507.237 where: short stacking energy: -998.126 Base-Backbone interact. energy: -0.409 local terms energy: -992.982913 where: bonds (distance) C4'-P energy: -159.427 bonds (distance) P-C4' energy: -171.778 flat angles C4'-P-C4' energy: -217.755 flat angles P-C4'-P energy: -146.228 tors. eta vs tors. theta energy: -297.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -3436.918993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3436.918993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3436.918993 (E_RNA) where: Base-Base interactions energy: -2483.483 where: short stacking energy: -970.192 Base-Backbone interact. energy: 0.029 local terms energy: -953.464730 where: bonds (distance) C4'-P energy: -167.313 bonds (distance) P-C4' energy: -157.101 flat angles C4'-P-C4' energy: -212.802 flat angles P-C4'-P energy: -141.119 tors. eta vs tors. theta energy: -275.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -3294.912172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.912172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.912172 (E_RNA) where: Base-Base interactions energy: -2372.275 where: short stacking energy: -929.686 Base-Backbone interact. energy: 2.532 local terms energy: -925.169181 where: bonds (distance) C4'-P energy: -172.595 bonds (distance) P-C4' energy: -166.569 flat angles C4'-P-C4' energy: -195.326 flat angles P-C4'-P energy: -129.577 tors. eta vs tors. theta energy: -261.103 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: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -3219.030931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.030931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.030931 (E_RNA) where: Base-Base interactions energy: -2330.978 where: short stacking energy: -917.072 Base-Backbone interact. energy: 0.594 local terms energy: -888.647325 where: bonds (distance) C4'-P energy: -142.202 bonds (distance) P-C4' energy: -148.518 flat angles C4'-P-C4' energy: -188.062 flat angles P-C4'-P energy: -136.265 tors. eta vs tors. theta energy: -273.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -3058.324045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.324045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.324045 (E_RNA) where: Base-Base interactions energy: -2247.549 where: short stacking energy: -883.566 Base-Backbone interact. energy: 1.310 local terms energy: -812.084608 where: bonds (distance) C4'-P energy: -143.321 bonds (distance) P-C4' energy: -113.839 flat angles C4'-P-C4' energy: -172.994 flat angles P-C4'-P energy: -132.111 tors. eta vs tors. theta energy: -249.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -2999.314846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.314846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.314846 (E_RNA) where: Base-Base interactions energy: -2184.946 where: short stacking energy: -842.318 Base-Backbone interact. energy: -1.718 local terms energy: -812.650509 where: bonds (distance) C4'-P energy: -120.222 bonds (distance) P-C4' energy: -136.206 flat angles C4'-P-C4' energy: -183.191 flat angles P-C4'-P energy: -119.484 tors. eta vs tors. theta energy: -253.547 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: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -2566.136909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.136909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.136909 (E_RNA) where: Base-Base interactions energy: -1830.056 where: short stacking energy: -702.335 Base-Backbone interact. energy: -1.423 local terms energy: -734.657690 where: bonds (distance) C4'-P energy: -125.123 bonds (distance) P-C4' energy: -157.747 flat angles C4'-P-C4' energy: -153.034 flat angles P-C4'-P energy: -104.694 tors. eta vs tors. theta energy: -194.060 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: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3845.239604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3845.239604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3845.239604 (E_RNA) where: Base-Base interactions energy: -2804.626 where: short stacking energy: -1088.343 Base-Backbone interact. energy: -0.816 local terms energy: -1039.797010 where: bonds (distance) C4'-P energy: -181.619 bonds (distance) P-C4' energy: -177.428 flat angles C4'-P-C4' energy: -217.914 flat angles P-C4'-P energy: -145.649 tors. eta vs tors. theta energy: -317.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -3761.549639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3761.549639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3761.549639 (E_RNA) where: Base-Base interactions energy: -2729.356 where: short stacking energy: -1069.420 Base-Backbone interact. energy: -0.830 local terms energy: -1031.363465 where: bonds (distance) C4'-P energy: -184.849 bonds (distance) P-C4' energy: -175.936 flat angles C4'-P-C4' energy: -212.183 flat angles P-C4'-P energy: -145.963 tors. eta vs tors. theta energy: -312.432 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: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -3583.689931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3583.689931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3583.689931 (E_RNA) where: Base-Base interactions energy: -2613.382 where: short stacking energy: -1019.833 Base-Backbone interact. energy: -2.969 local terms energy: -967.338571 where: bonds (distance) C4'-P energy: -181.504 bonds (distance) P-C4' energy: -162.874 flat angles C4'-P-C4' energy: -215.699 flat angles P-C4'-P energy: -125.617 tors. eta vs tors. theta energy: -281.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -3449.008206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3449.008206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3449.008206 (E_RNA) where: Base-Base interactions energy: -2482.130 where: short stacking energy: -970.769 Base-Backbone interact. energy: -3.102 local terms energy: -963.775445 where: bonds (distance) C4'-P energy: -164.087 bonds (distance) P-C4' energy: -172.673 flat angles C4'-P-C4' energy: -215.183 flat angles P-C4'-P energy: -137.947 tors. eta vs tors. theta energy: -273.885 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: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -3424.248079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3424.248079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3424.248079 (E_RNA) where: Base-Base interactions energy: -2501.503 where: short stacking energy: -984.368 Base-Backbone interact. energy: -1.770 local terms energy: -920.975518 where: bonds (distance) C4'-P energy: -162.101 bonds (distance) P-C4' energy: -140.007 flat angles C4'-P-C4' energy: -203.123 flat angles P-C4'-P energy: -132.670 tors. eta vs tors. theta energy: -283.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -3297.234003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.234003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.234003 (E_RNA) where: Base-Base interactions energy: -2371.765 where: short stacking energy: -927.396 Base-Backbone interact. energy: -1.412 local terms energy: -924.056335 where: bonds (distance) C4'-P energy: -152.874 bonds (distance) P-C4' energy: -154.905 flat angles C4'-P-C4' energy: -208.447 flat angles P-C4'-P energy: -135.136 tors. eta vs tors. theta energy: -272.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -3223.702602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.702602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.702602 (E_RNA) where: Base-Base interactions energy: -2328.870 where: short stacking energy: -918.454 Base-Backbone interact. energy: -1.505 local terms energy: -893.327671 where: bonds (distance) C4'-P energy: -151.601 bonds (distance) P-C4' energy: -147.883 flat angles C4'-P-C4' energy: -196.324 flat angles P-C4'-P energy: -137.119 tors. eta vs tors. theta energy: -260.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -3076.599364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.599364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.599364 (E_RNA) where: Base-Base interactions energy: -2247.170 where: short stacking energy: -886.992 Base-Backbone interact. energy: -0.556 local terms energy: -828.873333 where: bonds (distance) C4'-P energy: -124.776 bonds (distance) P-C4' energy: -160.135 flat angles C4'-P-C4' energy: -163.606 flat angles P-C4'-P energy: -138.338 tors. eta vs tors. theta energy: -242.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -3018.837565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.837565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.837565 (E_RNA) where: Base-Base interactions energy: -2185.578 where: short stacking energy: -862.730 Base-Backbone interact. energy: 2.249 local terms energy: -835.508849 where: bonds (distance) C4'-P energy: -150.658 bonds (distance) P-C4' energy: -137.219 flat angles C4'-P-C4' energy: -183.924 flat angles P-C4'-P energy: -111.962 tors. eta vs tors. theta energy: -251.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -2621.912263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.912263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.912263 (E_RNA) where: Base-Base interactions energy: -1841.517 where: short stacking energy: -704.935 Base-Backbone interact. energy: 1.051 local terms energy: -781.446961 where: bonds (distance) C4'-P energy: -153.729 bonds (distance) P-C4' energy: -153.167 flat angles C4'-P-C4' energy: -169.531 flat angles P-C4'-P energy: -122.276 tors. eta vs tors. theta energy: -182.744 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: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3868.921367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3868.921367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3868.921367 (E_RNA) where: Base-Base interactions energy: -2803.871 where: short stacking energy: -1094.638 Base-Backbone interact. energy: -2.400 local terms energy: -1062.650573 where: bonds (distance) C4'-P energy: -173.538 bonds (distance) P-C4' energy: -191.401 flat angles C4'-P-C4' energy: -227.304 flat angles P-C4'-P energy: -147.519 tors. eta vs tors. theta energy: -322.888 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: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -3724.436387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3724.436387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3724.436387 (E_RNA) where: Base-Base interactions energy: -2689.440 where: short stacking energy: -1064.752 Base-Backbone interact. energy: 0.382 local terms energy: -1035.378906 where: bonds (distance) C4'-P energy: -174.861 bonds (distance) P-C4' energy: -172.098 flat angles C4'-P-C4' energy: -217.263 flat angles P-C4'-P energy: -159.121 tors. eta vs tors. theta energy: -312.036 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: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -3582.344966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.344966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.344966 (E_RNA) where: Base-Base interactions energy: -2592.772 where: short stacking energy: -1000.763 Base-Backbone interact. energy: 0.061 local terms energy: -989.633937 where: bonds (distance) C4'-P energy: -174.420 bonds (distance) P-C4' energy: -179.724 flat angles C4'-P-C4' energy: -203.580 flat angles P-C4'-P energy: -151.168 tors. eta vs tors. theta energy: -280.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -3439.217352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.217352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.217352 (E_RNA) where: Base-Base interactions energy: -2495.448 where: short stacking energy: -964.810 Base-Backbone interact. energy: -1.831 local terms energy: -941.937621 where: bonds (distance) C4'-P energy: -165.143 bonds (distance) P-C4' energy: -166.912 flat angles C4'-P-C4' energy: -202.938 flat angles P-C4'-P energy: -135.241 tors. eta vs tors. theta energy: -271.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -3415.125369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3415.125369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3415.125369 (E_RNA) where: Base-Base interactions energy: -2499.035 where: short stacking energy: -957.362 Base-Backbone interact. energy: -2.425 local terms energy: -913.664986 where: bonds (distance) C4'-P energy: -138.425 bonds (distance) P-C4' energy: -171.412 flat angles C4'-P-C4' energy: -207.107 flat angles P-C4'-P energy: -133.150 tors. eta vs tors. theta energy: -263.572 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: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -3289.284886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.284886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.284886 (E_RNA) where: Base-Base interactions energy: -2358.739 where: short stacking energy: -930.255 Base-Backbone interact. energy: 8.197 local terms energy: -938.742225 where: bonds (distance) C4'-P energy: -154.455 bonds (distance) P-C4' energy: -163.675 flat angles C4'-P-C4' energy: -201.433 flat angles P-C4'-P energy: -136.901 tors. eta vs tors. theta energy: -282.278 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: 197 Temperature: 1.200000 Total energy: -3181.818870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.818870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.818870 (E_RNA) where: Base-Base interactions energy: -2315.999 where: short stacking energy: -879.281 Base-Backbone interact. energy: -0.825 local terms energy: -864.995295 where: bonds (distance) C4'-P energy: -148.675 bonds (distance) P-C4' energy: -139.962 flat angles C4'-P-C4' energy: -195.393 flat angles P-C4'-P energy: -132.417 tors. eta vs tors. theta energy: -248.548 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: 4 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -3097.999360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.999360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.999360 (E_RNA) where: Base-Base interactions energy: -2242.935 where: short stacking energy: -865.910 Base-Backbone interact. energy: 1.434 local terms energy: -856.497755 where: bonds (distance) C4'-P energy: -141.733 bonds (distance) P-C4' energy: -166.225 flat angles C4'-P-C4' energy: -187.132 flat angles P-C4'-P energy: -111.214 tors. eta vs tors. theta energy: -250.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -2978.427665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.427665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.427665 (E_RNA) where: Base-Base interactions energy: -2198.205 where: short stacking energy: -846.725 Base-Backbone interact. energy: 0.586 local terms energy: -780.808851 where: bonds (distance) C4'-P energy: -127.779 bonds (distance) P-C4' energy: -132.219 flat angles C4'-P-C4' energy: -169.011 flat angles P-C4'-P energy: -100.089 tors. eta vs tors. theta energy: -251.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -2645.727552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.727552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.727552 (E_RNA) where: Base-Base interactions energy: -1929.133 where: short stacking energy: -728.999 Base-Backbone interact. energy: -2.015 local terms energy: -714.579891 where: bonds (distance) C4'-P energy: -137.490 bonds (distance) P-C4' energy: -137.664 flat angles C4'-P-C4' energy: -172.640 flat angles P-C4'-P energy: -75.210 tors. eta vs tors. theta energy: -191.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3835.658296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3835.658296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3835.658296 (E_RNA) where: Base-Base interactions energy: -2789.008 where: short stacking energy: -1071.289 Base-Backbone interact. energy: -3.016 local terms energy: -1043.634258 where: bonds (distance) C4'-P energy: -168.746 bonds (distance) P-C4' energy: -201.768 flat angles C4'-P-C4' energy: -219.521 flat angles P-C4'-P energy: -142.100 tors. eta vs tors. theta energy: -311.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -3752.787625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3752.787625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3752.787625 (E_RNA) where: Base-Base interactions energy: -2707.518 where: short stacking energy: -1058.785 Base-Backbone interact. energy: 1.124 local terms energy: -1046.393218 where: bonds (distance) C4'-P energy: -176.013 bonds (distance) P-C4' energy: -200.887 flat angles C4'-P-C4' energy: -218.290 flat angles P-C4'-P energy: -143.317 tors. eta vs tors. theta energy: -307.887 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: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -3508.802992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3508.802992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3508.802992 (E_RNA) where: Base-Base interactions energy: -2539.092 where: short stacking energy: -992.430 Base-Backbone interact. energy: -0.363 local terms energy: -969.347160 where: bonds (distance) C4'-P energy: -178.044 bonds (distance) P-C4' energy: -175.280 flat angles C4'-P-C4' energy: -193.018 flat angles P-C4'-P energy: -132.656 tors. eta vs tors. theta energy: -290.348 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: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -3502.263322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3502.263322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3502.263322 (E_RNA) where: Base-Base interactions energy: -2544.332 where: short stacking energy: -965.594 Base-Backbone interact. energy: -2.284 local terms energy: -955.647466 where: bonds (distance) C4'-P energy: -161.233 bonds (distance) P-C4' energy: -165.342 flat angles C4'-P-C4' energy: -222.717 flat angles P-C4'-P energy: -130.228 tors. eta vs tors. theta energy: -276.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -3431.567994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3431.567994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3431.567994 (E_RNA) where: Base-Base interactions energy: -2456.418 where: short stacking energy: -945.958 Base-Backbone interact. energy: -1.656 local terms energy: -973.493468 where: bonds (distance) C4'-P energy: -159.480 bonds (distance) P-C4' energy: -190.400 flat angles C4'-P-C4' energy: -209.609 flat angles P-C4'-P energy: -134.995 tors. eta vs tors. theta energy: -279.009 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: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -3248.446842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.446842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.446842 (E_RNA) where: Base-Base interactions energy: -2377.348 where: short stacking energy: -955.020 Base-Backbone interact. energy: 3.819 local terms energy: -874.917569 where: bonds (distance) C4'-P energy: -149.046 bonds (distance) P-C4' energy: -144.304 flat angles C4'-P-C4' energy: -178.753 flat angles P-C4'-P energy: -122.171 tors. eta vs tors. theta energy: -280.643 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: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -3232.156777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.156777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.156777 (E_RNA) where: Base-Base interactions energy: -2358.025 where: short stacking energy: -912.331 Base-Backbone interact. energy: -2.477 local terms energy: -871.654646 where: bonds (distance) C4'-P energy: -152.300 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -181.650 flat angles P-C4'-P energy: -128.524 tors. eta vs tors. theta energy: -263.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -3121.428847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.428847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.428847 (E_RNA) where: Base-Base interactions energy: -2274.464 where: short stacking energy: -877.014 Base-Backbone interact. energy: -0.915 local terms energy: -846.049226 where: bonds (distance) C4'-P energy: -135.048 bonds (distance) P-C4' energy: -154.460 flat angles C4'-P-C4' energy: -178.364 flat angles P-C4'-P energy: -117.526 tors. eta vs tors. theta energy: -260.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -2952.931617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.931617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.931617 (E_RNA) where: Base-Base interactions energy: -2125.879 where: short stacking energy: -855.794 Base-Backbone interact. energy: -0.904 local terms energy: -826.148201 where: bonds (distance) C4'-P energy: -138.602 bonds (distance) P-C4' energy: -140.851 flat angles C4'-P-C4' energy: -186.842 flat angles P-C4'-P energy: -118.199 tors. eta vs tors. theta energy: -241.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -2715.501798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.501798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.501798 (E_RNA) where: Base-Base interactions energy: -1971.085 where: short stacking energy: -780.868 Base-Backbone interact. energy: 6.903 local terms energy: -751.319662 where: bonds (distance) C4'-P energy: -122.529 bonds (distance) P-C4' energy: -147.969 flat angles C4'-P-C4' energy: -173.841 flat angles P-C4'-P energy: -93.138 tors. eta vs tors. theta energy: -213.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3843.106252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3843.106252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3843.106252 (E_RNA) where: Base-Base interactions energy: -2800.289 where: short stacking energy: -1074.878 Base-Backbone interact. energy: 0.083 local terms energy: -1042.899720 where: bonds (distance) C4'-P energy: -187.938 bonds (distance) P-C4' energy: -183.944 flat angles C4'-P-C4' energy: -219.508 flat angles P-C4'-P energy: -136.139 tors. eta vs tors. theta energy: -315.371 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: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -3758.252046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3758.252046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3758.252046 (E_RNA) where: Base-Base interactions energy: -2747.304 where: short stacking energy: -1066.210 Base-Backbone interact. energy: -0.653 local terms energy: -1010.295272 where: bonds (distance) C4'-P energy: -185.066 bonds (distance) P-C4' energy: -177.439 flat angles C4'-P-C4' energy: -221.357 flat angles P-C4'-P energy: -124.693 tors. eta vs tors. theta energy: -301.740 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: 199 Temperature: 1.000000 Total energy: -3551.069957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3551.069957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3551.069957 (E_RNA) where: Base-Base interactions energy: -2536.046 where: short stacking energy: -1006.383 Base-Backbone interact. energy: -0.310 local terms energy: -1014.714104 where: bonds (distance) C4'-P energy: -189.889 bonds (distance) P-C4' energy: -173.107 flat angles C4'-P-C4' energy: -206.469 flat angles P-C4'-P energy: -143.932 tors. eta vs tors. theta energy: -301.316 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: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -3481.649932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.649932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.649932 (E_RNA) where: Base-Base interactions energy: -2517.615 where: short stacking energy: -962.631 Base-Backbone interact. energy: -0.874 local terms energy: -963.161273 where: bonds (distance) C4'-P energy: -158.348 bonds (distance) P-C4' energy: -182.080 flat angles C4'-P-C4' energy: -205.963 flat angles P-C4'-P energy: -138.897 tors. eta vs tors. theta energy: -277.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -3444.840208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.840208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.840208 (E_RNA) where: Base-Base interactions energy: -2492.808 where: short stacking energy: -939.264 Base-Backbone interact. energy: -0.278 local terms energy: -951.753892 where: bonds (distance) C4'-P energy: -166.709 bonds (distance) P-C4' energy: -176.129 flat angles C4'-P-C4' energy: -200.834 flat angles P-C4'-P energy: -120.091 tors. eta vs tors. theta energy: -287.991 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: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -3276.368531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.368531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.368531 (E_RNA) where: Base-Base interactions energy: -2368.315 where: short stacking energy: -921.320 Base-Backbone interact. energy: -1.768 local terms energy: -906.286053 where: bonds (distance) C4'-P energy: -175.710 bonds (distance) P-C4' energy: -138.994 flat angles C4'-P-C4' energy: -183.772 flat angles P-C4'-P energy: -142.195 tors. eta vs tors. theta energy: -265.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -3203.269439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.269439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.269439 (E_RNA) where: Base-Base interactions energy: -2346.997 where: short stacking energy: -915.865 Base-Backbone interact. energy: 1.089 local terms energy: -857.360856 where: bonds (distance) C4'-P energy: -146.553 bonds (distance) P-C4' energy: -145.545 flat angles C4'-P-C4' energy: -186.408 flat angles P-C4'-P energy: -109.420 tors. eta vs tors. theta energy: -269.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -3122.477579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.477579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.477579 (E_RNA) where: Base-Base interactions energy: -2262.205 where: short stacking energy: -859.544 Base-Backbone interact. energy: -1.904 local terms energy: -858.369100 where: bonds (distance) C4'-P energy: -131.943 bonds (distance) P-C4' energy: -165.685 flat angles C4'-P-C4' energy: -203.287 flat angles P-C4'-P energy: -110.427 tors. eta vs tors. theta energy: -247.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -2963.527029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.527029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.527029 (E_RNA) where: Base-Base interactions energy: -2130.268 where: short stacking energy: -843.137 Base-Backbone interact. energy: -0.081 local terms energy: -833.177921 where: bonds (distance) C4'-P energy: -167.448 bonds (distance) P-C4' energy: -143.812 flat angles C4'-P-C4' energy: -176.091 flat angles P-C4'-P energy: -115.247 tors. eta vs tors. theta energy: -230.579 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: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -2697.885053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.885053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.885053 (E_RNA) where: Base-Base interactions energy: -1954.553 where: short stacking energy: -741.190 Base-Backbone interact. energy: -0.750 local terms energy: -742.582551 where: bonds (distance) C4'-P energy: -120.055 bonds (distance) P-C4' energy: -135.461 flat angles C4'-P-C4' energy: -182.517 flat angles P-C4'-P energy: -99.153 tors. eta vs tors. theta energy: -205.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3855.225992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3855.225992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3855.225992 (E_RNA) where: Base-Base interactions energy: -2809.400 where: short stacking energy: -1087.716 Base-Backbone interact. energy: -2.180 local terms energy: -1043.645956 where: bonds (distance) C4'-P energy: -181.017 bonds (distance) P-C4' energy: -179.281 flat angles C4'-P-C4' energy: -235.254 flat angles P-C4'-P energy: -140.979 tors. eta vs tors. theta energy: -307.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -3744.926234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3744.926234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3744.926234 (E_RNA) where: Base-Base interactions energy: -2741.716 where: short stacking energy: -1074.600 Base-Backbone interact. energy: 3.218 local terms energy: -1006.428244 where: bonds (distance) C4'-P energy: -168.772 bonds (distance) P-C4' energy: -172.259 flat angles C4'-P-C4' energy: -222.645 flat angles P-C4'-P energy: -131.889 tors. eta vs tors. theta energy: -310.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -3526.672293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3526.672293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3526.672293 (E_RNA) where: Base-Base interactions energy: -2522.935 where: short stacking energy: -979.228 Base-Backbone interact. energy: -2.534 local terms energy: -1001.202722 where: bonds (distance) C4'-P energy: -177.216 bonds (distance) P-C4' energy: -178.967 flat angles C4'-P-C4' energy: -210.674 flat angles P-C4'-P energy: -140.924 tors. eta vs tors. theta energy: -293.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -3515.255556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.255556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.255556 (E_RNA) where: Base-Base interactions energy: -2578.777 where: short stacking energy: -992.544 Base-Backbone interact. energy: -2.330 local terms energy: -934.147940 where: bonds (distance) C4'-P energy: -162.720 bonds (distance) P-C4' energy: -165.776 flat angles C4'-P-C4' energy: -193.602 flat angles P-C4'-P energy: -131.356 tors. eta vs tors. theta energy: -280.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -3424.096782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3424.096782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3424.096782 (E_RNA) where: Base-Base interactions energy: -2504.458 where: short stacking energy: -977.523 Base-Backbone interact. energy: 6.494 local terms energy: -926.133319 where: bonds (distance) C4'-P energy: -145.756 bonds (distance) P-C4' energy: -174.396 flat angles C4'-P-C4' energy: -200.782 flat angles P-C4'-P energy: -122.493 tors. eta vs tors. theta energy: -282.706 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: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -3281.483763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.483763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.483763 (E_RNA) where: Base-Base interactions energy: -2358.777 where: short stacking energy: -932.718 Base-Backbone interact. energy: -1.685 local terms energy: -921.021877 where: bonds (distance) C4'-P energy: -138.964 bonds (distance) P-C4' energy: -180.316 flat angles C4'-P-C4' energy: -199.827 flat angles P-C4'-P energy: -133.909 tors. eta vs tors. theta energy: -268.005 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: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -3219.546496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.546496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.546496 (E_RNA) where: Base-Base interactions energy: -2315.454 where: short stacking energy: -910.021 Base-Backbone interact. energy: -0.719 local terms energy: -903.374053 where: bonds (distance) C4'-P energy: -165.599 bonds (distance) P-C4' energy: -146.005 flat angles C4'-P-C4' energy: -197.922 flat angles P-C4'-P energy: -119.890 tors. eta vs tors. theta energy: -273.959 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: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -3118.781079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.781079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.781079 (E_RNA) where: Base-Base interactions energy: -2266.748 where: short stacking energy: -872.217 Base-Backbone interact. energy: -1.594 local terms energy: -850.439132 where: bonds (distance) C4'-P energy: -146.692 bonds (distance) P-C4' energy: -146.336 flat angles C4'-P-C4' energy: -197.686 flat angles P-C4'-P energy: -108.939 tors. eta vs tors. theta energy: -250.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -2968.444934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.444934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.444934 (E_RNA) where: Base-Base interactions energy: -2142.529 where: short stacking energy: -834.202 Base-Backbone interact. energy: 5.589 local terms energy: -831.504284 where: bonds (distance) C4'-P energy: -141.514 bonds (distance) P-C4' energy: -147.444 flat angles C4'-P-C4' energy: -185.483 flat angles P-C4'-P energy: -118.663 tors. eta vs tors. theta energy: -238.401 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: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -2743.774982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.774982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.774982 (E_RNA) where: Base-Base interactions energy: -1949.094 where: short stacking energy: -760.076 Base-Backbone interact. energy: 1.644 local terms energy: -796.325179 where: bonds (distance) C4'-P energy: -144.818 bonds (distance) P-C4' energy: -155.100 flat angles C4'-P-C4' energy: -171.543 flat angles P-C4'-P energy: -101.787 tors. eta vs tors. theta energy: -223.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3875.719899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3875.719899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3875.719899 (E_RNA) where: Base-Base interactions energy: -2825.916 where: short stacking energy: -1102.190 Base-Backbone interact. energy: -1.772 local terms energy: -1048.031977 where: bonds (distance) C4'-P energy: -186.689 bonds (distance) P-C4' energy: -182.916 flat angles C4'-P-C4' energy: -216.986 flat angles P-C4'-P energy: -150.380 tors. eta vs tors. theta energy: -311.061 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: 201 Temperature: 0.950000 Total energy: -3756.051557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.051557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.051557 (E_RNA) where: Base-Base interactions energy: -2742.883 where: short stacking energy: -1062.054 Base-Backbone interact. energy: 5.941 local terms energy: -1019.109254 where: bonds (distance) C4'-P energy: -154.496 bonds (distance) P-C4' energy: -192.073 flat angles C4'-P-C4' energy: -206.579 flat angles P-C4'-P energy: -163.519 tors. eta vs tors. theta energy: -302.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -3527.677406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3527.677406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3527.677406 (E_RNA) where: Base-Base interactions energy: -2554.128 where: short stacking energy: -1016.106 Base-Backbone interact. energy: 0.720 local terms energy: -974.269985 where: bonds (distance) C4'-P energy: -154.361 bonds (distance) P-C4' energy: -167.489 flat angles C4'-P-C4' energy: -211.769 flat angles P-C4'-P energy: -144.832 tors. eta vs tors. theta energy: -295.819 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: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -3529.047144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3529.047144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3529.047144 (E_RNA) where: Base-Base interactions energy: -2575.714 where: short stacking energy: -968.258 Base-Backbone interact. energy: -0.859 local terms energy: -952.474048 where: bonds (distance) C4'-P energy: -167.737 bonds (distance) P-C4' energy: -163.923 flat angles C4'-P-C4' energy: -201.372 flat angles P-C4'-P energy: -140.623 tors. eta vs tors. theta energy: -278.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -3401.186733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3401.186733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3401.186733 (E_RNA) where: Base-Base interactions energy: -2468.287 where: short stacking energy: -944.151 Base-Backbone interact. energy: 6.537 local terms energy: -939.436884 where: bonds (distance) C4'-P energy: -155.091 bonds (distance) P-C4' energy: -175.854 flat angles C4'-P-C4' energy: -195.478 flat angles P-C4'-P energy: -141.672 tors. eta vs tors. theta energy: -271.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -3301.422726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.422726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.422726 (E_RNA) where: Base-Base interactions energy: -2370.437 where: short stacking energy: -921.612 Base-Backbone interact. energy: -1.812 local terms energy: -929.173702 where: bonds (distance) C4'-P energy: -151.979 bonds (distance) P-C4' energy: -175.057 flat angles C4'-P-C4' energy: -199.303 flat angles P-C4'-P energy: -126.179 tors. eta vs tors. theta energy: -276.657 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: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -3216.338379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.338379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.338379 (E_RNA) where: Base-Base interactions energy: -2289.701 where: short stacking energy: -869.577 Base-Backbone interact. energy: -1.327 local terms energy: -925.309880 where: bonds (distance) C4'-P energy: -175.074 bonds (distance) P-C4' energy: -163.033 flat angles C4'-P-C4' energy: -197.188 flat angles P-C4'-P energy: -136.981 tors. eta vs tors. theta energy: -253.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -3135.014457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.014457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.014457 (E_RNA) where: Base-Base interactions energy: -2286.632 where: short stacking energy: -886.030 Base-Backbone interact. energy: 1.333 local terms energy: -849.714732 where: bonds (distance) C4'-P energy: -140.013 bonds (distance) P-C4' energy: -171.393 flat angles C4'-P-C4' energy: -179.670 flat angles P-C4'-P energy: -115.603 tors. eta vs tors. theta energy: -243.035 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: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -3041.750475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.750475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.750475 (E_RNA) where: Base-Base interactions energy: -2186.570 where: short stacking energy: -848.427 Base-Backbone interact. energy: 2.961 local terms energy: -858.141405 where: bonds (distance) C4'-P energy: -163.405 bonds (distance) P-C4' energy: -155.750 flat angles C4'-P-C4' energy: -173.442 flat angles P-C4'-P energy: -123.977 tors. eta vs tors. theta energy: -241.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -2665.427930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.427930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.427930 (E_RNA) where: Base-Base interactions energy: -1948.805 where: short stacking energy: -757.047 Base-Backbone interact. energy: 7.990 local terms energy: -724.612135 where: bonds (distance) C4'-P energy: -132.941 bonds (distance) P-C4' energy: -128.064 flat angles C4'-P-C4' energy: -174.422 flat angles P-C4'-P energy: -74.480 tors. eta vs tors. theta energy: -214.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3871.280639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3871.280639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3871.280639 (E_RNA) where: Base-Base interactions energy: -2807.093 where: short stacking energy: -1095.923 Base-Backbone interact. energy: -1.557 local terms energy: -1062.630303 where: bonds (distance) C4'-P energy: -170.455 bonds (distance) P-C4' energy: -188.409 flat angles C4'-P-C4' energy: -223.503 flat angles P-C4'-P energy: -162.345 tors. eta vs tors. theta energy: -317.917 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: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -3781.963033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3781.963033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3781.963033 (E_RNA) where: Base-Base interactions energy: -2768.513 where: short stacking energy: -1076.123 Base-Backbone interact. energy: -2.689 local terms energy: -1010.761772 where: bonds (distance) C4'-P energy: -186.423 bonds (distance) P-C4' energy: -170.227 flat angles C4'-P-C4' energy: -214.739 flat angles P-C4'-P energy: -136.559 tors. eta vs tors. theta energy: -302.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -3575.326257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3575.326257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3575.326257 (E_RNA) where: Base-Base interactions energy: -2562.135 where: short stacking energy: -980.090 Base-Backbone interact. energy: -2.506 local terms energy: -1010.684915 where: bonds (distance) C4'-P energy: -190.516 bonds (distance) P-C4' energy: -171.002 flat angles C4'-P-C4' energy: -205.452 flat angles P-C4'-P energy: -161.850 tors. eta vs tors. theta energy: -281.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -3458.979889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.979889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.979889 (E_RNA) where: Base-Base interactions energy: -2506.424 where: short stacking energy: -947.940 Base-Backbone interact. energy: 0.517 local terms energy: -953.073541 where: bonds (distance) C4'-P energy: -150.056 bonds (distance) P-C4' energy: -160.557 flat angles C4'-P-C4' energy: -214.187 flat angles P-C4'-P energy: -147.595 tors. eta vs tors. theta energy: -280.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -3347.431176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.431176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.431176 (E_RNA) where: Base-Base interactions energy: -2433.018 where: short stacking energy: -963.527 Base-Backbone interact. energy: -1.991 local terms energy: -912.422692 where: bonds (distance) C4'-P energy: -139.575 bonds (distance) P-C4' energy: -177.353 flat angles C4'-P-C4' energy: -199.322 flat angles P-C4'-P energy: -124.772 tors. eta vs tors. theta energy: -271.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -3339.160245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.160245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.160245 (E_RNA) where: Base-Base interactions energy: -2453.278 where: short stacking energy: -957.193 Base-Backbone interact. energy: -1.562 local terms energy: -884.320638 where: bonds (distance) C4'-P energy: -149.266 bonds (distance) P-C4' energy: -158.445 flat angles C4'-P-C4' energy: -184.256 flat angles P-C4'-P energy: -120.231 tors. eta vs tors. theta energy: -272.122 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: 202 Temperature: 1.200000 Total energy: -3196.556220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.556220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.556220 (E_RNA) where: Base-Base interactions energy: -2343.336 where: short stacking energy: -907.017 Base-Backbone interact. energy: -2.192 local terms energy: -851.028938 where: bonds (distance) C4'-P energy: -150.189 bonds (distance) P-C4' energy: -155.570 flat angles C4'-P-C4' energy: -190.318 flat angles P-C4'-P energy: -104.161 tors. eta vs tors. theta energy: -250.792 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: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -3178.110803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.110803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.110803 (E_RNA) where: Base-Base interactions energy: -2306.883 where: short stacking energy: -909.743 Base-Backbone interact. energy: -3.713 local terms energy: -867.514520 where: bonds (distance) C4'-P energy: -132.072 bonds (distance) P-C4' energy: -166.962 flat angles C4'-P-C4' energy: -184.010 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -269.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -2956.415242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.415242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.415242 (E_RNA) where: Base-Base interactions energy: -2115.113 where: short stacking energy: -833.626 Base-Backbone interact. energy: 2.860 local terms energy: -844.161961 where: bonds (distance) C4'-P energy: -159.635 bonds (distance) P-C4' energy: -147.103 flat angles C4'-P-C4' energy: -180.057 flat angles P-C4'-P energy: -122.825 tors. eta vs tors. theta energy: -234.542 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: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -2541.168887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.168887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.168887 (E_RNA) where: Base-Base interactions energy: -1848.058 where: short stacking energy: -688.237 Base-Backbone interact. energy: -2.063 local terms energy: -691.048334 where: bonds (distance) C4'-P energy: -136.965 bonds (distance) P-C4' energy: -125.065 flat angles C4'-P-C4' energy: -152.387 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -185.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3854.145943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3854.145943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3854.145943 (E_RNA) where: Base-Base interactions energy: -2798.568 where: short stacking energy: -1070.015 Base-Backbone interact. energy: -2.449 local terms energy: -1053.128092 where: bonds (distance) C4'-P energy: -180.258 bonds (distance) P-C4' energy: -180.370 flat angles C4'-P-C4' energy: -223.849 flat angles P-C4'-P energy: -151.309 tors. eta vs tors. theta energy: -317.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -3765.677577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3765.677577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3765.677577 (E_RNA) where: Base-Base interactions energy: -2745.096 where: short stacking energy: -1076.429 Base-Backbone interact. energy: -3.275 local terms energy: -1017.306361 where: bonds (distance) C4'-P energy: -169.362 bonds (distance) P-C4' energy: -171.785 flat angles C4'-P-C4' energy: -220.956 flat angles P-C4'-P energy: -146.845 tors. eta vs tors. theta energy: -308.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -3591.140944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3591.140944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3591.140944 (E_RNA) where: Base-Base interactions energy: -2571.195 where: short stacking energy: -994.167 Base-Backbone interact. energy: -2.284 local terms energy: -1017.661912 where: bonds (distance) C4'-P energy: -183.256 bonds (distance) P-C4' energy: -193.646 flat angles C4'-P-C4' energy: -218.458 flat angles P-C4'-P energy: -138.638 tors. eta vs tors. theta energy: -283.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -3482.084363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.084363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.084363 (E_RNA) where: Base-Base interactions energy: -2527.164 where: short stacking energy: -1010.111 Base-Backbone interact. energy: -1.422 local terms energy: -953.498093 where: bonds (distance) C4'-P energy: -162.842 bonds (distance) P-C4' energy: -172.789 flat angles C4'-P-C4' energy: -209.522 flat angles P-C4'-P energy: -119.998 tors. eta vs tors. theta energy: -288.347 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: 203 Temperature: 1.100000 Total energy: -3359.947960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3359.947960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3359.947960 (E_RNA) where: Base-Base interactions energy: -2429.221 where: short stacking energy: -951.827 Base-Backbone interact. energy: -2.009 local terms energy: -928.717559 where: bonds (distance) C4'-P energy: -157.565 bonds (distance) P-C4' energy: -162.786 flat angles C4'-P-C4' energy: -193.749 flat angles P-C4'-P energy: -143.114 tors. eta vs tors. theta energy: -271.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -3316.746825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3316.746825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3316.746825 (E_RNA) where: Base-Base interactions energy: -2414.848 where: short stacking energy: -915.473 Base-Backbone interact. energy: -1.924 local terms energy: -899.974666 where: bonds (distance) C4'-P energy: -154.928 bonds (distance) P-C4' energy: -155.792 flat angles C4'-P-C4' energy: -185.708 flat angles P-C4'-P energy: -133.128 tors. eta vs tors. theta energy: -270.418 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: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -3189.264724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.264724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.264724 (E_RNA) where: Base-Base interactions energy: -2317.462 where: short stacking energy: -913.851 Base-Backbone interact. energy: -3.402 local terms energy: -868.400883 where: bonds (distance) C4'-P energy: -146.947 bonds (distance) P-C4' energy: -165.371 flat angles C4'-P-C4' energy: -191.014 flat angles P-C4'-P energy: -101.126 tors. eta vs tors. theta energy: -263.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -3182.353427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.353427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.353427 (E_RNA) where: Base-Base interactions energy: -2296.159 where: short stacking energy: -880.302 Base-Backbone interact. energy: -1.129 local terms energy: -885.065728 where: bonds (distance) C4'-P energy: -152.015 bonds (distance) P-C4' energy: -147.988 flat angles C4'-P-C4' energy: -182.229 flat angles P-C4'-P energy: -135.393 tors. eta vs tors. theta energy: -267.441 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: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -2875.295268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.295268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.295268 (E_RNA) where: Base-Base interactions energy: -2067.184 where: short stacking energy: -797.869 Base-Backbone interact. energy: -2.541 local terms energy: -805.570288 where: bonds (distance) C4'-P energy: -144.082 bonds (distance) P-C4' energy: -146.278 flat angles C4'-P-C4' energy: -179.275 flat angles P-C4'-P energy: -109.675 tors. eta vs tors. theta energy: -226.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -2520.735154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.735154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.735154 (E_RNA) where: Base-Base interactions energy: -1751.911 where: short stacking energy: -698.267 Base-Backbone interact. energy: -3.187 local terms energy: -765.637669 where: bonds (distance) C4'-P energy: -160.032 bonds (distance) P-C4' energy: -132.954 flat angles C4'-P-C4' energy: -174.975 flat angles P-C4'-P energy: -110.989 tors. eta vs tors. theta energy: -186.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3880.142492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3880.142492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3880.142492 (E_RNA) where: Base-Base interactions energy: -2833.323 where: short stacking energy: -1095.361 Base-Backbone interact. energy: -3.269 local terms energy: -1043.549652 where: bonds (distance) C4'-P energy: -178.621 bonds (distance) P-C4' energy: -181.337 flat angles C4'-P-C4' energy: -215.861 flat angles P-C4'-P energy: -153.193 tors. eta vs tors. theta energy: -314.539 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: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -3755.445091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.445091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.445091 (E_RNA) where: Base-Base interactions energy: -2729.413 where: short stacking energy: -1061.268 Base-Backbone interact. energy: -1.546 local terms energy: -1024.486364 where: bonds (distance) C4'-P energy: -160.265 bonds (distance) P-C4' energy: -180.900 flat angles C4'-P-C4' energy: -224.287 flat angles P-C4'-P energy: -148.935 tors. eta vs tors. theta energy: -310.100 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: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -3592.520168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3592.520168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3592.520168 (E_RNA) where: Base-Base interactions energy: -2614.287 where: short stacking energy: -1011.246 Base-Backbone interact. energy: -2.595 local terms energy: -975.637638 where: bonds (distance) C4'-P energy: -174.138 bonds (distance) P-C4' energy: -162.850 flat angles C4'-P-C4' energy: -213.264 flat angles P-C4'-P energy: -135.149 tors. eta vs tors. theta energy: -290.236 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: 204 Temperature: 1.050000 Total energy: -3481.429708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.429708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.429708 (E_RNA) where: Base-Base interactions energy: -2531.295 where: short stacking energy: -982.520 Base-Backbone interact. energy: 0.086 local terms energy: -950.221514 where: bonds (distance) C4'-P energy: -152.315 bonds (distance) P-C4' energy: -174.599 flat angles C4'-P-C4' energy: -198.441 flat angles P-C4'-P energy: -146.317 tors. eta vs tors. theta energy: -278.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -3423.561528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3423.561528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3423.561528 (E_RNA) where: Base-Base interactions energy: -2477.656 where: short stacking energy: -958.523 Base-Backbone interact. energy: 5.061 local terms energy: -950.966855 where: bonds (distance) C4'-P energy: -180.096 bonds (distance) P-C4' energy: -150.389 flat angles C4'-P-C4' energy: -201.412 flat angles P-C4'-P energy: -142.782 tors. eta vs tors. theta energy: -276.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -3292.297616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.297616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.297616 (E_RNA) where: Base-Base interactions energy: -2384.261 where: short stacking energy: -948.504 Base-Backbone interact. energy: -2.141 local terms energy: -905.895311 where: bonds (distance) C4'-P energy: -160.144 bonds (distance) P-C4' energy: -140.159 flat angles C4'-P-C4' energy: -180.255 flat angles P-C4'-P energy: -141.439 tors. eta vs tors. theta energy: -283.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -3204.406203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.406203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.406203 (E_RNA) where: Base-Base interactions energy: -2311.301 where: short stacking energy: -886.879 Base-Backbone interact. energy: 0.953 local terms energy: -894.058046 where: bonds (distance) C4'-P energy: -161.800 bonds (distance) P-C4' energy: -142.591 flat angles C4'-P-C4' energy: -209.801 flat angles P-C4'-P energy: -117.973 tors. eta vs tors. theta energy: -261.892 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: 4 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -3155.424057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.424057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.424057 (E_RNA) where: Base-Base interactions energy: -2278.297 where: short stacking energy: -882.957 Base-Backbone interact. energy: -1.334 local terms energy: -875.793124 where: bonds (distance) C4'-P energy: -155.946 bonds (distance) P-C4' energy: -143.942 flat angles C4'-P-C4' energy: -192.525 flat angles P-C4'-P energy: -131.766 tors. eta vs tors. theta energy: -251.613 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: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -2879.999255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.999255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.999255 (E_RNA) where: Base-Base interactions energy: -2118.065 where: short stacking energy: -825.856 Base-Backbone interact. energy: 2.297 local terms energy: -764.230827 where: bonds (distance) C4'-P energy: -137.257 bonds (distance) P-C4' energy: -157.735 flat angles C4'-P-C4' energy: -153.818 flat angles P-C4'-P energy: -92.598 tors. eta vs tors. theta energy: -222.823 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: 10, replica: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -2579.387988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.387988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.387988 (E_RNA) where: Base-Base interactions energy: -1812.983 where: short stacking energy: -712.236 Base-Backbone interact. energy: -0.313 local terms energy: -766.092429 where: bonds (distance) C4'-P energy: -145.572 bonds (distance) P-C4' energy: -148.605 flat angles C4'-P-C4' energy: -168.933 flat angles P-C4'-P energy: -120.926 tors. eta vs tors. theta energy: -182.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3845.511597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3845.511597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3845.511597 (E_RNA) where: Base-Base interactions energy: -2783.973 where: short stacking energy: -1084.824 Base-Backbone interact. energy: 3.170 local terms energy: -1064.709104 where: bonds (distance) C4'-P energy: -191.293 bonds (distance) P-C4' energy: -186.149 flat angles C4'-P-C4' energy: -220.533 flat angles P-C4'-P energy: -148.447 tors. eta vs tors. theta energy: -318.286 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: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -3808.324501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3808.324501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3808.324501 (E_RNA) where: Base-Base interactions energy: -2749.953 where: short stacking energy: -1076.941 Base-Backbone interact. energy: -1.815 local terms energy: -1056.556564 where: bonds (distance) C4'-P energy: -194.660 bonds (distance) P-C4' energy: -183.194 flat angles C4'-P-C4' energy: -219.766 flat angles P-C4'-P energy: -152.082 tors. eta vs tors. theta energy: -306.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -3580.352280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3580.352280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3580.352280 (E_RNA) where: Base-Base interactions energy: -2625.363 where: short stacking energy: -1023.518 Base-Backbone interact. energy: -2.752 local terms energy: -952.236924 where: bonds (distance) C4'-P energy: -154.897 bonds (distance) P-C4' energy: -159.098 flat angles C4'-P-C4' energy: -217.433 flat angles P-C4'-P energy: -131.642 tors. eta vs tors. theta energy: -289.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -3460.992933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3460.992933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3460.992933 (E_RNA) where: Base-Base interactions energy: -2503.109 where: short stacking energy: -969.894 Base-Backbone interact. energy: -0.491 local terms energy: -957.393147 where: bonds (distance) C4'-P energy: -164.116 bonds (distance) P-C4' energy: -159.583 flat angles C4'-P-C4' energy: -196.282 flat angles P-C4'-P energy: -151.415 tors. eta vs tors. theta energy: -285.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -3419.356981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3419.356981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3419.356981 (E_RNA) where: Base-Base interactions energy: -2491.042 where: short stacking energy: -973.188 Base-Backbone interact. energy: -2.287 local terms energy: -926.027715 where: bonds (distance) C4'-P energy: -178.392 bonds (distance) P-C4' energy: -168.072 flat angles C4'-P-C4' energy: -195.501 flat angles P-C4'-P energy: -108.990 tors. eta vs tors. theta energy: -275.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -3292.496190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.496190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.496190 (E_RNA) where: Base-Base interactions energy: -2377.762 where: short stacking energy: -933.627 Base-Backbone interact. energy: -1.027 local terms energy: -913.706322 where: bonds (distance) C4'-P energy: -157.062 bonds (distance) P-C4' energy: -137.667 flat angles C4'-P-C4' energy: -202.152 flat angles P-C4'-P energy: -132.348 tors. eta vs tors. theta energy: -284.477 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: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -3210.898916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.898916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.898916 (E_RNA) where: Base-Base interactions energy: -2345.976 where: short stacking energy: -933.065 Base-Backbone interact. energy: -2.468 local terms energy: -862.454582 where: bonds (distance) C4'-P energy: -150.013 bonds (distance) P-C4' energy: -129.012 flat angles C4'-P-C4' energy: -193.780 flat angles P-C4'-P energy: -114.279 tors. eta vs tors. theta energy: -275.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -3178.064271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.064271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.064271 (E_RNA) where: Base-Base interactions energy: -2313.641 where: short stacking energy: -896.797 Base-Backbone interact. energy: -1.939 local terms energy: -862.484123 where: bonds (distance) C4'-P energy: -130.918 bonds (distance) P-C4' energy: -161.020 flat angles C4'-P-C4' energy: -194.078 flat angles P-C4'-P energy: -109.053 tors. eta vs tors. theta energy: -267.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -3002.439507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.439507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.439507 (E_RNA) where: Base-Base interactions energy: -2184.908 where: short stacking energy: -886.884 Base-Backbone interact. energy: 0.710 local terms energy: -818.241888 where: bonds (distance) C4'-P energy: -145.322 bonds (distance) P-C4' energy: -124.223 flat angles C4'-P-C4' energy: -183.597 flat angles P-C4'-P energy: -111.990 tors. eta vs tors. theta energy: -253.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -2428.663797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.663797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.663797 (E_RNA) where: Base-Base interactions energy: -1715.243 where: short stacking energy: -678.244 Base-Backbone interact. energy: 2.258 local terms energy: -715.678216 where: bonds (distance) C4'-P energy: -164.332 bonds (distance) P-C4' energy: -112.840 flat angles C4'-P-C4' energy: -175.193 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -178.968 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: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3846.256045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3846.256045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3846.256045 (E_RNA) where: Base-Base interactions energy: -2778.662 where: short stacking energy: -1085.565 Base-Backbone interact. energy: 0.407 local terms energy: -1068.000816 where: bonds (distance) C4'-P energy: -197.750 bonds (distance) P-C4' energy: -195.739 flat angles C4'-P-C4' energy: -220.465 flat angles P-C4'-P energy: -138.690 tors. eta vs tors. theta energy: -315.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -3776.633544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3776.633544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3776.633544 (E_RNA) where: Base-Base interactions energy: -2736.438 where: short stacking energy: -1068.679 Base-Backbone interact. energy: 5.143 local terms energy: -1045.338195 where: bonds (distance) C4'-P energy: -177.976 bonds (distance) P-C4' energy: -198.221 flat angles C4'-P-C4' energy: -219.410 flat angles P-C4'-P energy: -145.545 tors. eta vs tors. theta energy: -304.187 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: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -3591.799095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3591.799095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3591.799095 (E_RNA) where: Base-Base interactions energy: -2613.822 where: short stacking energy: -992.561 Base-Backbone interact. energy: -0.341 local terms energy: -977.636055 where: bonds (distance) C4'-P energy: -172.103 bonds (distance) P-C4' energy: -180.837 flat angles C4'-P-C4' energy: -202.487 flat angles P-C4'-P energy: -143.593 tors. eta vs tors. theta energy: -278.616 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: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -3440.663918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3440.663918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3440.663918 (E_RNA) where: Base-Base interactions energy: -2494.235 where: short stacking energy: -944.942 Base-Backbone interact. energy: -1.826 local terms energy: -944.602597 where: bonds (distance) C4'-P energy: -155.783 bonds (distance) P-C4' energy: -169.501 flat angles C4'-P-C4' energy: -210.377 flat angles P-C4'-P energy: -134.180 tors. eta vs tors. theta energy: -274.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -3430.830021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.830021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.830021 (E_RNA) where: Base-Base interactions energy: -2496.409 where: short stacking energy: -972.825 Base-Backbone interact. energy: 2.628 local terms energy: -937.049032 where: bonds (distance) C4'-P energy: -158.752 bonds (distance) P-C4' energy: -159.500 flat angles C4'-P-C4' energy: -199.272 flat angles P-C4'-P energy: -132.551 tors. eta vs tors. theta energy: -286.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -3331.483079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3331.483079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3331.483079 (E_RNA) where: Base-Base interactions energy: -2402.867 where: short stacking energy: -918.742 Base-Backbone interact. energy: -3.627 local terms energy: -924.989179 where: bonds (distance) C4'-P energy: -164.276 bonds (distance) P-C4' energy: -163.223 flat angles C4'-P-C4' energy: -199.216 flat angles P-C4'-P energy: -128.405 tors. eta vs tors. theta energy: -269.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -3288.535891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.535891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.535891 (E_RNA) where: Base-Base interactions energy: -2376.679 where: short stacking energy: -948.866 Base-Backbone interact. energy: -1.211 local terms energy: -910.645783 where: bonds (distance) C4'-P energy: -154.608 bonds (distance) P-C4' energy: -164.927 flat angles C4'-P-C4' energy: -189.822 flat angles P-C4'-P energy: -123.993 tors. eta vs tors. theta energy: -277.295 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: 206 Temperature: 1.250000 Total energy: -3148.817308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.817308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.817308 (E_RNA) where: Base-Base interactions energy: -2228.853 where: short stacking energy: -867.246 Base-Backbone interact. energy: -5.831 local terms energy: -914.132504 where: bonds (distance) C4'-P energy: -162.772 bonds (distance) P-C4' energy: -153.492 flat angles C4'-P-C4' energy: -192.065 flat angles P-C4'-P energy: -133.864 tors. eta vs tors. theta energy: -271.940 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: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -3010.729582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.729582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.729582 (E_RNA) where: Base-Base interactions energy: -2202.065 where: short stacking energy: -850.337 Base-Backbone interact. energy: 0.884 local terms energy: -809.548404 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -141.223 flat angles C4'-P-C4' energy: -179.817 flat angles P-C4'-P energy: -118.637 tors. eta vs tors. theta energy: -245.750 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: 2 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -2436.485389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.485389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.485389 (E_RNA) where: Base-Base interactions energy: -1732.517 where: short stacking energy: -677.966 Base-Backbone interact. energy: -1.923 local terms energy: -702.045397 where: bonds (distance) C4'-P energy: -117.638 bonds (distance) P-C4' energy: -142.250 flat angles C4'-P-C4' energy: -152.381 flat angles P-C4'-P energy: -121.686 tors. eta vs tors. theta energy: -168.090 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: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3805.339472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3805.339472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3805.339472 (E_RNA) where: Base-Base interactions energy: -2786.221 where: short stacking energy: -1067.696 Base-Backbone interact. energy: -2.852 local terms energy: -1016.266983 where: bonds (distance) C4'-P energy: -170.965 bonds (distance) P-C4' energy: -175.659 flat angles C4'-P-C4' energy: -230.494 flat angles P-C4'-P energy: -134.749 tors. eta vs tors. theta energy: -304.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -3755.745654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.745654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.745654 (E_RNA) where: Base-Base interactions energy: -2721.951 where: short stacking energy: -1056.160 Base-Backbone interact. energy: -1.486 local terms energy: -1032.308785 where: bonds (distance) C4'-P energy: -187.132 bonds (distance) P-C4' energy: -170.325 flat angles C4'-P-C4' energy: -218.462 flat angles P-C4'-P energy: -147.384 tors. eta vs tors. theta energy: -309.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -3622.204042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3622.204042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3622.204042 (E_RNA) where: Base-Base interactions energy: -2606.395 where: short stacking energy: -1016.035 Base-Backbone interact. energy: -1.473 local terms energy: -1014.336312 where: bonds (distance) C4'-P energy: -184.555 bonds (distance) P-C4' energy: -193.926 flat angles C4'-P-C4' energy: -197.821 flat angles P-C4'-P energy: -140.371 tors. eta vs tors. theta energy: -297.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -3479.121643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.121643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.121643 (E_RNA) where: Base-Base interactions energy: -2517.343 where: short stacking energy: -1009.478 Base-Backbone interact. energy: -2.753 local terms energy: -959.026019 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -177.904 flat angles C4'-P-C4' energy: -218.097 flat angles P-C4'-P energy: -128.105 tors. eta vs tors. theta energy: -286.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -3412.560758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3412.560758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3412.560758 (E_RNA) where: Base-Base interactions energy: -2454.792 where: short stacking energy: -952.143 Base-Backbone interact. energy: 5.289 local terms energy: -963.058530 where: bonds (distance) C4'-P energy: -171.618 bonds (distance) P-C4' energy: -156.945 flat angles C4'-P-C4' energy: -202.987 flat angles P-C4'-P energy: -150.707 tors. eta vs tors. theta energy: -280.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -3290.928714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.928714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.928714 (E_RNA) where: Base-Base interactions energy: -2341.380 where: short stacking energy: -931.071 Base-Backbone interact. energy: -3.362 local terms energy: -946.186498 where: bonds (distance) C4'-P energy: -168.086 bonds (distance) P-C4' energy: -172.540 flat angles C4'-P-C4' energy: -203.452 flat angles P-C4'-P energy: -133.248 tors. eta vs tors. theta energy: -268.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -3214.151087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.151087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.151087 (E_RNA) where: Base-Base interactions energy: -2313.840 where: short stacking energy: -912.992 Base-Backbone interact. energy: 1.792 local terms energy: -902.103056 where: bonds (distance) C4'-P energy: -159.065 bonds (distance) P-C4' energy: -150.715 flat angles C4'-P-C4' energy: -194.750 flat angles P-C4'-P energy: -129.509 tors. eta vs tors. theta energy: -268.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -3096.512175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.512175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.512175 (E_RNA) where: Base-Base interactions energy: -2200.729 where: short stacking energy: -853.137 Base-Backbone interact. energy: 2.423 local terms energy: -898.206140 where: bonds (distance) C4'-P energy: -157.437 bonds (distance) P-C4' energy: -167.918 flat angles C4'-P-C4' energy: -182.781 flat angles P-C4'-P energy: -131.013 tors. eta vs tors. theta energy: -259.057 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: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -3062.620194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.620194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.620194 (E_RNA) where: Base-Base interactions energy: -2218.818 where: short stacking energy: -855.621 Base-Backbone interact. energy: 1.634 local terms energy: -845.436526 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -137.083 flat angles C4'-P-C4' energy: -196.770 flat angles P-C4'-P energy: -122.358 tors. eta vs tors. theta energy: -252.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -2441.002458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.002458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.002458 (E_RNA) where: Base-Base interactions energy: -1744.241 where: short stacking energy: -700.250 Base-Backbone interact. energy: -1.593 local terms energy: -695.168951 where: bonds (distance) C4'-P energy: -135.006 bonds (distance) P-C4' energy: -138.781 flat angles C4'-P-C4' energy: -148.928 flat angles P-C4'-P energy: -107.084 tors. eta vs tors. theta energy: -165.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3828.753647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3828.753647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3828.753647 (E_RNA) where: Base-Base interactions energy: -2778.021 where: short stacking energy: -1054.809 Base-Backbone interact. energy: -0.733 local terms energy: -1049.999947 where: bonds (distance) C4'-P energy: -187.310 bonds (distance) P-C4' energy: -183.755 flat angles C4'-P-C4' energy: -210.284 flat angles P-C4'-P energy: -153.714 tors. eta vs tors. theta energy: -314.937 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: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -3721.970696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3721.970696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3721.970696 (E_RNA) where: Base-Base interactions energy: -2671.300 where: short stacking energy: -1023.311 Base-Backbone interact. energy: -1.327 local terms energy: -1049.343271 where: bonds (distance) C4'-P energy: -183.597 bonds (distance) P-C4' energy: -191.229 flat angles C4'-P-C4' energy: -223.243 flat angles P-C4'-P energy: -150.580 tors. eta vs tors. theta energy: -300.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -3612.226361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3612.226361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3612.226361 (E_RNA) where: Base-Base interactions energy: -2623.599 where: short stacking energy: -993.341 Base-Backbone interact. energy: 0.310 local terms energy: -988.937894 where: bonds (distance) C4'-P energy: -181.654 bonds (distance) P-C4' energy: -187.099 flat angles C4'-P-C4' energy: -200.891 flat angles P-C4'-P energy: -131.755 tors. eta vs tors. theta energy: -287.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -3457.106499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.106499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.106499 (E_RNA) where: Base-Base interactions energy: -2500.222 where: short stacking energy: -971.790 Base-Backbone interact. energy: -0.282 local terms energy: -956.602770 where: bonds (distance) C4'-P energy: -156.201 bonds (distance) P-C4' energy: -172.409 flat angles C4'-P-C4' energy: -212.048 flat angles P-C4'-P energy: -133.665 tors. eta vs tors. theta energy: -282.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -3400.839240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3400.839240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3400.839240 (E_RNA) where: Base-Base interactions energy: -2462.604 where: short stacking energy: -960.676 Base-Backbone interact. energy: -1.700 local terms energy: -936.535260 where: bonds (distance) C4'-P energy: -152.060 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -209.570 flat angles P-C4'-P energy: -134.674 tors. eta vs tors. theta energy: -280.330 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: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -3298.901557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.901557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.901557 (E_RNA) where: Base-Base interactions energy: -2376.942 where: short stacking energy: -932.290 Base-Backbone interact. energy: -1.781 local terms energy: -920.178334 where: bonds (distance) C4'-P energy: -175.289 bonds (distance) P-C4' energy: -141.654 flat angles C4'-P-C4' energy: -204.482 flat angles P-C4'-P energy: -113.535 tors. eta vs tors. theta energy: -285.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -3208.441480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.441480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.441480 (E_RNA) where: Base-Base interactions energy: -2319.411 where: short stacking energy: -912.418 Base-Backbone interact. energy: -0.885 local terms energy: -888.145333 where: bonds (distance) C4'-P energy: -155.403 bonds (distance) P-C4' energy: -151.276 flat angles C4'-P-C4' energy: -188.503 flat angles P-C4'-P energy: -134.101 tors. eta vs tors. theta energy: -258.862 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: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -3151.350022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.350022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.350022 (E_RNA) where: Base-Base interactions energy: -2254.642 where: short stacking energy: -877.153 Base-Backbone interact. energy: -0.610 local terms energy: -896.097442 where: bonds (distance) C4'-P energy: -169.248 bonds (distance) P-C4' energy: -165.144 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -114.487 tors. eta vs tors. theta energy: -275.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -2994.311061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.311061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.311061 (E_RNA) where: Base-Base interactions energy: -2177.890 where: short stacking energy: -853.650 Base-Backbone interact. energy: -0.544 local terms energy: -815.876927 where: bonds (distance) C4'-P energy: -126.105 bonds (distance) P-C4' energy: -121.837 flat angles C4'-P-C4' energy: -186.123 flat angles P-C4'-P energy: -124.522 tors. eta vs tors. theta energy: -257.290 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: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -2405.053898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.053898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.053898 (E_RNA) where: Base-Base interactions energy: -1705.300 where: short stacking energy: -680.753 Base-Backbone interact. energy: 3.271 local terms energy: -703.025207 where: bonds (distance) C4'-P energy: -115.072 bonds (distance) P-C4' energy: -156.013 flat angles C4'-P-C4' energy: -158.690 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -171.433 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: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3828.274927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3828.274927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3828.274927 (E_RNA) where: Base-Base interactions energy: -2790.398 where: short stacking energy: -1079.012 Base-Backbone interact. energy: -2.161 local terms energy: -1035.715592 where: bonds (distance) C4'-P energy: -165.045 bonds (distance) P-C4' energy: -185.300 flat angles C4'-P-C4' energy: -225.744 flat angles P-C4'-P energy: -150.655 tors. eta vs tors. theta energy: -308.971 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: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -3765.879858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3765.879858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3765.879858 (E_RNA) where: Base-Base interactions energy: -2745.044 where: short stacking energy: -1063.988 Base-Backbone interact. energy: -0.627 local terms energy: -1020.208929 where: bonds (distance) C4'-P energy: -174.714 bonds (distance) P-C4' energy: -174.606 flat angles C4'-P-C4' energy: -217.652 flat angles P-C4'-P energy: -149.049 tors. eta vs tors. theta energy: -304.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -3630.311788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3630.311788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3630.311788 (E_RNA) where: Base-Base interactions energy: -2667.194 where: short stacking energy: -1043.795 Base-Backbone interact. energy: -0.193 local terms energy: -962.924742 where: bonds (distance) C4'-P energy: -158.018 bonds (distance) P-C4' energy: -177.344 flat angles C4'-P-C4' energy: -204.012 flat angles P-C4'-P energy: -127.765 tors. eta vs tors. theta energy: -295.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -3485.432043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.432043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.432043 (E_RNA) where: Base-Base interactions energy: -2511.943 where: short stacking energy: -996.026 Base-Backbone interact. energy: -2.188 local terms energy: -971.301384 where: bonds (distance) C4'-P energy: -179.400 bonds (distance) P-C4' energy: -182.070 flat angles C4'-P-C4' energy: -189.915 flat angles P-C4'-P energy: -146.439 tors. eta vs tors. theta energy: -273.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -3405.697870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.697870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.697870 (E_RNA) where: Base-Base interactions energy: -2489.249 where: short stacking energy: -959.495 Base-Backbone interact. energy: -2.803 local terms energy: -913.646383 where: bonds (distance) C4'-P energy: -155.317 bonds (distance) P-C4' energy: -148.172 flat angles C4'-P-C4' energy: -195.477 flat angles P-C4'-P energy: -139.441 tors. eta vs tors. theta energy: -275.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -3284.552941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.552941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.552941 (E_RNA) where: Base-Base interactions energy: -2353.636 where: short stacking energy: -922.421 Base-Backbone interact. energy: -2.684 local terms energy: -928.233250 where: bonds (distance) C4'-P energy: -152.425 bonds (distance) P-C4' energy: -164.799 flat angles C4'-P-C4' energy: -192.360 flat angles P-C4'-P energy: -142.513 tors. eta vs tors. theta energy: -276.136 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: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -3215.957656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.957656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.957656 (E_RNA) where: Base-Base interactions energy: -2339.952 where: short stacking energy: -924.901 Base-Backbone interact. energy: 0.862 local terms energy: -876.867750 where: bonds (distance) C4'-P energy: -138.219 bonds (distance) P-C4' energy: -156.708 flat angles C4'-P-C4' energy: -191.589 flat angles P-C4'-P energy: -115.408 tors. eta vs tors. theta energy: -274.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -3094.741784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.741784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.741784 (E_RNA) where: Base-Base interactions energy: -2257.703 where: short stacking energy: -891.634 Base-Backbone interact. energy: -1.715 local terms energy: -835.323085 where: bonds (distance) C4'-P energy: -149.945 bonds (distance) P-C4' energy: -143.909 flat angles C4'-P-C4' energy: -176.342 flat angles P-C4'-P energy: -118.265 tors. eta vs tors. theta energy: -246.863 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: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -3008.899474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.899474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.899474 (E_RNA) where: Base-Base interactions energy: -2193.065 where: short stacking energy: -816.795 Base-Backbone interact. energy: 1.960 local terms energy: -817.794566 where: bonds (distance) C4'-P energy: -147.777 bonds (distance) P-C4' energy: -146.942 flat angles C4'-P-C4' energy: -175.286 flat angles P-C4'-P energy: -110.135 tors. eta vs tors. theta energy: -237.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -2396.534053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.534053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.534053 (E_RNA) where: Base-Base interactions energy: -1682.322 where: short stacking energy: -662.897 Base-Backbone interact. energy: -0.210 local terms energy: -714.001337 where: bonds (distance) C4'-P energy: -139.561 bonds (distance) P-C4' energy: -147.418 flat angles C4'-P-C4' energy: -149.343 flat angles P-C4'-P energy: -111.192 tors. eta vs tors. theta energy: -166.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3817.643742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.643742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.643742 (E_RNA) where: Base-Base interactions energy: -2761.376 where: short stacking energy: -1054.806 Base-Backbone interact. energy: -1.147 local terms energy: -1055.120680 where: bonds (distance) C4'-P energy: -168.355 bonds (distance) P-C4' energy: -195.531 flat angles C4'-P-C4' energy: -226.206 flat angles P-C4'-P energy: -154.764 tors. eta vs tors. theta energy: -310.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -3780.573475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3780.573475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3780.573475 (E_RNA) where: Base-Base interactions energy: -2743.080 where: short stacking energy: -1073.705 Base-Backbone interact. energy: -1.532 local terms energy: -1035.961397 where: bonds (distance) C4'-P energy: -173.846 bonds (distance) P-C4' energy: -177.472 flat angles C4'-P-C4' energy: -226.497 flat angles P-C4'-P energy: -145.355 tors. eta vs tors. theta energy: -312.792 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: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -3599.782898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3599.782898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3599.782898 (E_RNA) where: Base-Base interactions energy: -2611.797 where: short stacking energy: -1007.669 Base-Backbone interact. energy: -2.049 local terms energy: -985.937172 where: bonds (distance) C4'-P energy: -184.582 bonds (distance) P-C4' energy: -167.543 flat angles C4'-P-C4' energy: -202.001 flat angles P-C4'-P energy: -143.429 tors. eta vs tors. theta energy: -288.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -3505.484443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3505.484443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3505.484443 (E_RNA) where: Base-Base interactions energy: -2529.563 where: short stacking energy: -1001.799 Base-Backbone interact. energy: -0.379 local terms energy: -975.542107 where: bonds (distance) C4'-P energy: -182.095 bonds (distance) P-C4' energy: -171.133 flat angles C4'-P-C4' energy: -207.919 flat angles P-C4'-P energy: -127.267 tors. eta vs tors. theta energy: -287.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -3403.455429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3403.455429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3403.455429 (E_RNA) where: Base-Base interactions energy: -2446.233 where: short stacking energy: -956.757 Base-Backbone interact. energy: -0.016 local terms energy: -957.206642 where: bonds (distance) C4'-P energy: -155.501 bonds (distance) P-C4' energy: -169.209 flat angles C4'-P-C4' energy: -207.552 flat angles P-C4'-P energy: -139.537 tors. eta vs tors. theta energy: -285.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -3277.968171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3277.968171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3277.968171 (E_RNA) where: Base-Base interactions energy: -2374.726 where: short stacking energy: -930.775 Base-Backbone interact. energy: 0.774 local terms energy: -904.015240 where: bonds (distance) C4'-P energy: -176.109 bonds (distance) P-C4' energy: -163.682 flat angles C4'-P-C4' energy: -188.664 flat angles P-C4'-P energy: -107.099 tors. eta vs tors. theta energy: -268.460 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: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -3184.938698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.938698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.938698 (E_RNA) where: Base-Base interactions energy: -2290.892 where: short stacking energy: -898.360 Base-Backbone interact. energy: 0.353 local terms energy: -894.399926 where: bonds (distance) C4'-P energy: -154.969 bonds (distance) P-C4' energy: -157.634 flat angles C4'-P-C4' energy: -195.430 flat angles P-C4'-P energy: -121.757 tors. eta vs tors. theta energy: -264.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -3140.657937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.657937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.657937 (E_RNA) where: Base-Base interactions energy: -2272.895 where: short stacking energy: -910.318 Base-Backbone interact. energy: 3.189 local terms energy: -870.952605 where: bonds (distance) C4'-P energy: -156.812 bonds (distance) P-C4' energy: -140.590 flat angles C4'-P-C4' energy: -179.233 flat angles P-C4'-P energy: -132.369 tors. eta vs tors. theta energy: -261.948 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: 9, replica: 6 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -2998.111586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.111586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.111586 (E_RNA) where: Base-Base interactions energy: -2177.133 where: short stacking energy: -851.102 Base-Backbone interact. energy: -0.120 local terms energy: -820.857887 where: bonds (distance) C4'-P energy: -135.223 bonds (distance) P-C4' energy: -138.601 flat angles C4'-P-C4' energy: -184.323 flat angles P-C4'-P energy: -107.820 tors. eta vs tors. theta energy: -254.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -2505.917167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.917167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.917167 (E_RNA) where: Base-Base interactions energy: -1783.456 where: short stacking energy: -717.822 Base-Backbone interact. energy: 0.380 local terms energy: -722.841657 where: bonds (distance) C4'-P energy: -135.544 bonds (distance) P-C4' energy: -143.395 flat angles C4'-P-C4' energy: -163.055 flat angles P-C4'-P energy: -106.708 tors. eta vs tors. theta energy: -174.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3812.293322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3812.293322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3812.293322 (E_RNA) where: Base-Base interactions energy: -2790.463 where: short stacking energy: -1068.011 Base-Backbone interact. energy: -1.136 local terms energy: -1020.694572 where: bonds (distance) C4'-P energy: -174.409 bonds (distance) P-C4' energy: -182.496 flat angles C4'-P-C4' energy: -218.283 flat angles P-C4'-P energy: -142.071 tors. eta vs tors. theta energy: -303.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -3779.769785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3779.769785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3779.769785 (E_RNA) where: Base-Base interactions energy: -2764.400 where: short stacking energy: -1071.312 Base-Backbone interact. energy: 0.321 local terms energy: -1015.690177 where: bonds (distance) C4'-P energy: -177.427 bonds (distance) P-C4' energy: -170.539 flat angles C4'-P-C4' energy: -225.868 flat angles P-C4'-P energy: -141.257 tors. eta vs tors. theta energy: -300.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -3613.351347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3613.351347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3613.351347 (E_RNA) where: Base-Base interactions energy: -2623.803 where: short stacking energy: -1020.135 Base-Backbone interact. energy: -2.835 local terms energy: -986.714090 where: bonds (distance) C4'-P energy: -162.195 bonds (distance) P-C4' energy: -171.903 flat angles C4'-P-C4' energy: -218.568 flat angles P-C4'-P energy: -138.819 tors. eta vs tors. theta energy: -295.229 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: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -3518.253886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3518.253886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3518.253886 (E_RNA) where: Base-Base interactions energy: -2562.319 where: short stacking energy: -981.661 Base-Backbone interact. energy: 0.366 local terms energy: -956.300496 where: bonds (distance) C4'-P energy: -167.271 bonds (distance) P-C4' energy: -173.638 flat angles C4'-P-C4' energy: -206.094 flat angles P-C4'-P energy: -132.650 tors. eta vs tors. theta energy: -276.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -3430.571790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.571790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.571790 (E_RNA) where: Base-Base interactions energy: -2483.564 where: short stacking energy: -954.064 Base-Backbone interact. energy: -0.724 local terms energy: -946.283599 where: bonds (distance) C4'-P energy: -161.476 bonds (distance) P-C4' energy: -163.953 flat angles C4'-P-C4' energy: -203.706 flat angles P-C4'-P energy: -135.178 tors. eta vs tors. theta energy: -281.971 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: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -3299.342924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.342924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.342924 (E_RNA) where: Base-Base interactions energy: -2361.291 where: short stacking energy: -962.532 Base-Backbone interact. energy: -3.810 local terms energy: -934.241645 where: bonds (distance) C4'-P energy: -176.130 bonds (distance) P-C4' energy: -160.976 flat angles C4'-P-C4' energy: -202.843 flat angles P-C4'-P energy: -111.726 tors. eta vs tors. theta energy: -282.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -3201.447122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.447122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.447122 (E_RNA) where: Base-Base interactions energy: -2326.280 where: short stacking energy: -914.670 Base-Backbone interact. energy: 1.517 local terms energy: -876.683567 where: bonds (distance) C4'-P energy: -144.833 bonds (distance) P-C4' energy: -156.957 flat angles C4'-P-C4' energy: -198.184 flat angles P-C4'-P energy: -109.669 tors. eta vs tors. theta energy: -267.040 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: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -3078.338074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.338074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.338074 (E_RNA) where: Base-Base interactions energy: -2231.234 where: short stacking energy: -870.647 Base-Backbone interact. energy: 0.434 local terms energy: -847.538229 where: bonds (distance) C4'-P energy: -143.798 bonds (distance) P-C4' energy: -153.335 flat angles C4'-P-C4' energy: -185.714 flat angles P-C4'-P energy: -120.319 tors. eta vs tors. theta energy: -244.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -2969.685217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.685217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.685217 (E_RNA) where: Base-Base interactions energy: -2154.206 where: short stacking energy: -833.158 Base-Backbone interact. energy: -1.127 local terms energy: -814.352283 where: bonds (distance) C4'-P energy: -153.480 bonds (distance) P-C4' energy: -152.113 flat angles C4'-P-C4' energy: -166.440 flat angles P-C4'-P energy: -97.142 tors. eta vs tors. theta energy: -245.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -2580.467131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.467131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.467131 (E_RNA) where: Base-Base interactions energy: -1880.307 where: short stacking energy: -732.113 Base-Backbone interact. energy: 1.545 local terms energy: -701.704675 where: bonds (distance) C4'-P energy: -129.586 bonds (distance) P-C4' energy: -125.074 flat angles C4'-P-C4' energy: -149.703 flat angles P-C4'-P energy: -104.069 tors. eta vs tors. theta energy: -193.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3833.058410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3833.058410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3833.058410 (E_RNA) where: Base-Base interactions energy: -2794.248 where: short stacking energy: -1067.768 Base-Backbone interact. energy: -2.372 local terms energy: -1036.438457 where: bonds (distance) C4'-P energy: -187.805 bonds (distance) P-C4' energy: -180.155 flat angles C4'-P-C4' energy: -215.955 flat angles P-C4'-P energy: -144.451 tors. eta vs tors. theta energy: -308.073 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: 212 Temperature: 0.950000 Total energy: -3743.399025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3743.399025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3743.399025 (E_RNA) where: Base-Base interactions energy: -2738.424 where: short stacking energy: -1054.090 Base-Backbone interact. energy: 1.611 local terms energy: -1006.585411 where: bonds (distance) C4'-P energy: -179.389 bonds (distance) P-C4' energy: -173.469 flat angles C4'-P-C4' energy: -211.977 flat angles P-C4'-P energy: -138.427 tors. eta vs tors. theta energy: -303.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -3618.785193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3618.785193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3618.785193 (E_RNA) where: Base-Base interactions energy: -2640.402 where: short stacking energy: -1017.610 Base-Backbone interact. energy: -0.078 local terms energy: -978.305162 where: bonds (distance) C4'-P energy: -172.403 bonds (distance) P-C4' energy: -167.941 flat angles C4'-P-C4' energy: -202.586 flat angles P-C4'-P energy: -141.040 tors. eta vs tors. theta energy: -294.335 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: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -3514.213709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3514.213709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3514.213709 (E_RNA) where: Base-Base interactions energy: -2514.386 where: short stacking energy: -997.096 Base-Backbone interact. energy: 2.843 local terms energy: -1002.670649 where: bonds (distance) C4'-P energy: -178.027 bonds (distance) P-C4' energy: -176.870 flat angles C4'-P-C4' energy: -206.580 flat angles P-C4'-P energy: -154.919 tors. eta vs tors. theta energy: -286.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -3418.607140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3418.607140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3418.607140 (E_RNA) where: Base-Base interactions energy: -2493.177 where: short stacking energy: -980.737 Base-Backbone interact. energy: 5.879 local terms energy: -931.309114 where: bonds (distance) C4'-P energy: -156.332 bonds (distance) P-C4' energy: -153.268 flat angles C4'-P-C4' energy: -203.374 flat angles P-C4'-P energy: -140.537 tors. eta vs tors. theta energy: -277.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -3335.280227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.280227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.280227 (E_RNA) where: Base-Base interactions energy: -2376.726 where: short stacking energy: -947.656 Base-Backbone interact. energy: -2.057 local terms energy: -956.497776 where: bonds (distance) C4'-P energy: -158.076 bonds (distance) P-C4' energy: -180.161 flat angles C4'-P-C4' energy: -205.602 flat angles P-C4'-P energy: -137.725 tors. eta vs tors. theta energy: -274.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -3166.229036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.229036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.229036 (E_RNA) where: Base-Base interactions energy: -2285.455 where: short stacking energy: -892.117 Base-Backbone interact. energy: 0.902 local terms energy: -881.675196 where: bonds (distance) C4'-P energy: -144.254 bonds (distance) P-C4' energy: -150.851 flat angles C4'-P-C4' energy: -210.052 flat angles P-C4'-P energy: -124.619 tors. eta vs tors. theta energy: -251.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -3071.533294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.533294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.533294 (E_RNA) where: Base-Base interactions energy: -2231.416 where: short stacking energy: -853.249 Base-Backbone interact. energy: -1.426 local terms energy: -838.690595 where: bonds (distance) C4'-P energy: -155.326 bonds (distance) P-C4' energy: -133.653 flat angles C4'-P-C4' energy: -184.330 flat angles P-C4'-P energy: -115.689 tors. eta vs tors. theta energy: -249.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -2919.731936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.731936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.731936 (E_RNA) where: Base-Base interactions energy: -2106.102 where: short stacking energy: -832.068 Base-Backbone interact. energy: 1.664 local terms energy: -815.294089 where: bonds (distance) C4'-P energy: -142.605 bonds (distance) P-C4' energy: -154.401 flat angles C4'-P-C4' energy: -164.504 flat angles P-C4'-P energy: -114.932 tors. eta vs tors. theta energy: -238.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -2436.790474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.790474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.790474 (E_RNA) where: Base-Base interactions energy: -1710.311 where: short stacking energy: -658.112 Base-Backbone interact. energy: 1.959 local terms energy: -728.439051 where: bonds (distance) C4'-P energy: -140.598 bonds (distance) P-C4' energy: -153.271 flat angles C4'-P-C4' energy: -172.071 flat angles P-C4'-P energy: -94.796 tors. eta vs tors. theta energy: -167.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3834.654039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3834.654039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3834.654039 (E_RNA) where: Base-Base interactions energy: -2814.243 where: short stacking energy: -1089.516 Base-Backbone interact. energy: -0.542 local terms energy: -1019.869089 where: bonds (distance) C4'-P energy: -176.562 bonds (distance) P-C4' energy: -180.434 flat angles C4'-P-C4' energy: -224.959 flat angles P-C4'-P energy: -123.039 tors. eta vs tors. theta energy: -314.876 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: 2, replica: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -3778.532891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3778.532891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3778.532891 (E_RNA) where: Base-Base interactions energy: -2764.984 where: short stacking energy: -1073.266 Base-Backbone interact. energy: -0.284 local terms energy: -1013.265460 where: bonds (distance) C4'-P energy: -181.295 bonds (distance) P-C4' energy: -166.313 flat angles C4'-P-C4' energy: -222.762 flat angles P-C4'-P energy: -133.756 tors. eta vs tors. theta energy: -309.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -3600.210424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3600.210424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3600.210424 (E_RNA) where: Base-Base interactions energy: -2589.364 where: short stacking energy: -1006.009 Base-Backbone interact. energy: -2.026 local terms energy: -1008.820434 where: bonds (distance) C4'-P energy: -174.651 bonds (distance) P-C4' energy: -174.280 flat angles C4'-P-C4' energy: -218.044 flat angles P-C4'-P energy: -135.819 tors. eta vs tors. theta energy: -306.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -3471.801362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3471.801362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3471.801362 (E_RNA) where: Base-Base interactions energy: -2503.655 where: short stacking energy: -965.290 Base-Backbone interact. energy: -1.250 local terms energy: -966.895811 where: bonds (distance) C4'-P energy: -162.608 bonds (distance) P-C4' energy: -182.914 flat angles C4'-P-C4' energy: -204.097 flat angles P-C4'-P energy: -141.420 tors. eta vs tors. theta energy: -275.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -3392.107119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3392.107119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3392.107119 (E_RNA) where: Base-Base interactions energy: -2462.263 where: short stacking energy: -960.785 Base-Backbone interact. energy: 2.441 local terms energy: -932.284206 where: bonds (distance) C4'-P energy: -174.108 bonds (distance) P-C4' energy: -159.674 flat angles C4'-P-C4' energy: -198.238 flat angles P-C4'-P energy: -131.787 tors. eta vs tors. theta energy: -268.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -3310.657012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.657012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.657012 (E_RNA) where: Base-Base interactions energy: -2391.403 where: short stacking energy: -959.789 Base-Backbone interact. energy: -0.427 local terms energy: -918.826864 where: bonds (distance) C4'-P energy: -158.413 bonds (distance) P-C4' energy: -148.693 flat angles C4'-P-C4' energy: -198.013 flat angles P-C4'-P energy: -130.913 tors. eta vs tors. theta energy: -282.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -3214.347448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.347448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.347448 (E_RNA) where: Base-Base interactions energy: -2331.271 where: short stacking energy: -910.420 Base-Backbone interact. energy: 1.843 local terms energy: -884.919642 where: bonds (distance) C4'-P energy: -145.436 bonds (distance) P-C4' energy: -159.928 flat angles C4'-P-C4' energy: -185.289 flat angles P-C4'-P energy: -131.693 tors. eta vs tors. theta energy: -262.574 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: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -3110.400844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.400844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.400844 (E_RNA) where: Base-Base interactions energy: -2238.237 where: short stacking energy: -864.473 Base-Backbone interact. energy: 1.221 local terms energy: -873.384720 where: bonds (distance) C4'-P energy: -145.530 bonds (distance) P-C4' energy: -164.084 flat angles C4'-P-C4' energy: -182.473 flat angles P-C4'-P energy: -128.871 tors. eta vs tors. theta energy: -252.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -2926.684945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.684945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.684945 (E_RNA) where: Base-Base interactions energy: -2101.726 where: short stacking energy: -852.742 Base-Backbone interact. energy: 1.120 local terms energy: -826.078593 where: bonds (distance) C4'-P energy: -143.856 bonds (distance) P-C4' energy: -147.592 flat angles C4'-P-C4' energy: -176.328 flat angles P-C4'-P energy: -126.303 tors. eta vs tors. theta energy: -231.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -2408.473043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.473043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.473043 (E_RNA) where: Base-Base interactions energy: -1678.750 where: short stacking energy: -661.305 Base-Backbone interact. energy: -0.647 local terms energy: -729.076164 where: bonds (distance) C4'-P energy: -130.894 bonds (distance) P-C4' energy: -128.852 flat angles C4'-P-C4' energy: -181.684 flat angles P-C4'-P energy: -107.169 tors. eta vs tors. theta energy: -180.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3850.773115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3850.773115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3850.773115 (E_RNA) where: Base-Base interactions energy: -2777.140 where: short stacking energy: -1086.205 Base-Backbone interact. energy: 0.224 local terms energy: -1073.856749 where: bonds (distance) C4'-P energy: -185.397 bonds (distance) P-C4' energy: -199.390 flat angles C4'-P-C4' energy: -220.276 flat angles P-C4'-P energy: -149.183 tors. eta vs tors. theta energy: -319.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -3759.258777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3759.258777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3759.258777 (E_RNA) where: Base-Base interactions energy: -2738.548 where: short stacking energy: -1054.934 Base-Backbone interact. energy: 0.358 local terms energy: -1021.069374 where: bonds (distance) C4'-P energy: -187.327 bonds (distance) P-C4' energy: -177.816 flat angles C4'-P-C4' energy: -219.802 flat angles P-C4'-P energy: -130.652 tors. eta vs tors. theta energy: -305.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -3612.130174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3612.130174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3612.130174 (E_RNA) where: Base-Base interactions energy: -2605.798 where: short stacking energy: -1004.548 Base-Backbone interact. energy: -2.076 local terms energy: -1004.256214 where: bonds (distance) C4'-P energy: -164.729 bonds (distance) P-C4' energy: -185.234 flat angles C4'-P-C4' energy: -216.085 flat angles P-C4'-P energy: -136.126 tors. eta vs tors. theta energy: -302.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -3487.062249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.062249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.062249 (E_RNA) where: Base-Base interactions energy: -2522.250 where: short stacking energy: -987.513 Base-Backbone interact. energy: -2.579 local terms energy: -962.233324 where: bonds (distance) C4'-P energy: -163.626 bonds (distance) P-C4' energy: -177.720 flat angles C4'-P-C4' energy: -201.376 flat angles P-C4'-P energy: -131.482 tors. eta vs tors. theta energy: -288.029 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: 3 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -3398.528149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3398.528149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3398.528149 (E_RNA) where: Base-Base interactions energy: -2450.132 where: short stacking energy: -974.133 Base-Backbone interact. energy: -1.860 local terms energy: -946.535915 where: bonds (distance) C4'-P energy: -157.991 bonds (distance) P-C4' energy: -162.347 flat angles C4'-P-C4' energy: -206.109 flat angles P-C4'-P energy: -132.946 tors. eta vs tors. theta energy: -287.143 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: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -3337.618818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.618818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.618818 (E_RNA) where: Base-Base interactions energy: -2426.586 where: short stacking energy: -967.464 Base-Backbone interact. energy: -0.549 local terms energy: -910.483850 where: bonds (distance) C4'-P energy: -148.544 bonds (distance) P-C4' energy: -140.993 flat angles C4'-P-C4' energy: -204.346 flat angles P-C4'-P energy: -129.562 tors. eta vs tors. theta energy: -287.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -3179.385265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.385265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.385265 (E_RNA) where: Base-Base interactions energy: -2291.996 where: short stacking energy: -870.991 Base-Backbone interact. energy: -2.995 local terms energy: -884.393857 where: bonds (distance) C4'-P energy: -144.475 bonds (distance) P-C4' energy: -168.037 flat angles C4'-P-C4' energy: -198.145 flat angles P-C4'-P energy: -123.076 tors. eta vs tors. theta energy: -250.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -3103.134759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.134759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.134759 (E_RNA) where: Base-Base interactions energy: -2268.996 where: short stacking energy: -863.710 Base-Backbone interact. energy: 0.230 local terms energy: -834.368345 where: bonds (distance) C4'-P energy: -145.579 bonds (distance) P-C4' energy: -154.645 flat angles C4'-P-C4' energy: -183.245 flat angles P-C4'-P energy: -100.537 tors. eta vs tors. theta energy: -250.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -2937.375223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.375223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.375223 (E_RNA) where: Base-Base interactions energy: -2120.282 where: short stacking energy: -852.407 Base-Backbone interact. energy: 1.077 local terms energy: -818.169848 where: bonds (distance) C4'-P energy: -137.140 bonds (distance) P-C4' energy: -129.239 flat angles C4'-P-C4' energy: -191.325 flat angles P-C4'-P energy: -114.708 tors. eta vs tors. theta energy: -245.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -2469.408008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.408008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.408008 (E_RNA) where: Base-Base interactions energy: -1701.342 where: short stacking energy: -692.627 Base-Backbone interact. energy: 0.455 local terms energy: -768.520687 where: bonds (distance) C4'-P energy: -133.483 bonds (distance) P-C4' energy: -167.302 flat angles C4'-P-C4' energy: -161.454 flat angles P-C4'-P energy: -102.240 tors. eta vs tors. theta energy: -204.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3849.805847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3849.805847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3849.805847 (E_RNA) where: Base-Base interactions energy: -2795.732 where: short stacking energy: -1093.700 Base-Backbone interact. energy: -1.837 local terms energy: -1052.237167 where: bonds (distance) C4'-P energy: -175.068 bonds (distance) P-C4' energy: -191.358 flat angles C4'-P-C4' energy: -210.801 flat angles P-C4'-P energy: -158.178 tors. eta vs tors. theta energy: -316.833 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: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -3771.163704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3771.163704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3771.163704 (E_RNA) where: Base-Base interactions energy: -2741.519 where: short stacking energy: -1060.776 Base-Backbone interact. energy: 1.580 local terms energy: -1031.224172 where: bonds (distance) C4'-P energy: -180.834 bonds (distance) P-C4' energy: -190.547 flat angles C4'-P-C4' energy: -212.536 flat angles P-C4'-P energy: -142.639 tors. eta vs tors. theta energy: -304.668 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: 215 Temperature: 1.000000 Total energy: -3615.069240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3615.069240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3615.069240 (E_RNA) where: Base-Base interactions energy: -2611.471 where: short stacking energy: -1024.650 Base-Backbone interact. energy: 0.243 local terms energy: -1003.841077 where: bonds (distance) C4'-P energy: -166.531 bonds (distance) P-C4' energy: -172.684 flat angles C4'-P-C4' energy: -221.832 flat angles P-C4'-P energy: -143.727 tors. eta vs tors. theta energy: -299.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -3448.920327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.920327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.920327 (E_RNA) where: Base-Base interactions energy: -2484.634 where: short stacking energy: -959.811 Base-Backbone interact. energy: -3.347 local terms energy: -960.938921 where: bonds (distance) C4'-P energy: -159.644 bonds (distance) P-C4' energy: -176.092 flat angles C4'-P-C4' energy: -207.226 flat angles P-C4'-P energy: -128.911 tors. eta vs tors. theta energy: -289.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -3424.089914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3424.089914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3424.089914 (E_RNA) where: Base-Base interactions energy: -2481.709 where: short stacking energy: -1009.908 Base-Backbone interact. energy: -1.075 local terms energy: -941.305691 where: bonds (distance) C4'-P energy: -150.165 bonds (distance) P-C4' energy: -163.938 flat angles C4'-P-C4' energy: -194.527 flat angles P-C4'-P energy: -136.560 tors. eta vs tors. theta energy: -296.116 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: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -3304.052262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.052262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.052262 (E_RNA) where: Base-Base interactions energy: -2378.827 where: short stacking energy: -946.388 Base-Backbone interact. energy: -0.853 local terms energy: -924.372389 where: bonds (distance) C4'-P energy: -153.235 bonds (distance) P-C4' energy: -170.967 flat angles C4'-P-C4' energy: -188.189 flat angles P-C4'-P energy: -125.014 tors. eta vs tors. theta energy: -286.967 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: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -3173.934810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.934810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.934810 (E_RNA) where: Base-Base interactions energy: -2276.875 where: short stacking energy: -900.501 Base-Backbone interact. energy: 1.228 local terms energy: -898.287679 where: bonds (distance) C4'-P energy: -163.689 bonds (distance) P-C4' energy: -152.230 flat angles C4'-P-C4' energy: -194.074 flat angles P-C4'-P energy: -120.371 tors. eta vs tors. theta energy: -267.922 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: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -3090.687321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.687321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.687321 (E_RNA) where: Base-Base interactions energy: -2220.070 where: short stacking energy: -874.067 Base-Backbone interact. energy: 2.276 local terms energy: -872.893212 where: bonds (distance) C4'-P energy: -142.806 bonds (distance) P-C4' energy: -152.499 flat angles C4'-P-C4' energy: -189.194 flat angles P-C4'-P energy: -130.529 tors. eta vs tors. theta energy: -257.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -2852.885147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.885147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.885147 (E_RNA) where: Base-Base interactions energy: -2073.682 where: short stacking energy: -802.830 Base-Backbone interact. energy: 5.160 local terms energy: -784.362838 where: bonds (distance) C4'-P energy: -139.608 bonds (distance) P-C4' energy: -153.741 flat angles C4'-P-C4' energy: -158.938 flat angles P-C4'-P energy: -113.419 tors. eta vs tors. theta energy: -218.656 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: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -2528.889068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.889068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.889068 (E_RNA) where: Base-Base interactions energy: -1777.803 where: short stacking energy: -681.767 Base-Backbone interact. energy: -1.068 local terms energy: -750.017741 where: bonds (distance) C4'-P energy: -153.306 bonds (distance) P-C4' energy: -142.884 flat angles C4'-P-C4' energy: -171.355 flat angles P-C4'-P energy: -109.805 tors. eta vs tors. theta energy: -172.668 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: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3825.703278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.703278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.703278 (E_RNA) where: Base-Base interactions energy: -2766.215 where: short stacking energy: -1053.294 Base-Backbone interact. energy: -3.412 local terms energy: -1056.075583 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -195.855 flat angles C4'-P-C4' energy: -224.728 flat angles P-C4'-P energy: -165.451 tors. eta vs tors. theta energy: -307.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -3782.176384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3782.176384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3782.176384 (E_RNA) where: Base-Base interactions energy: -2741.842 where: short stacking energy: -1078.303 Base-Backbone interact. energy: -2.213 local terms energy: -1038.121009 where: bonds (distance) C4'-P energy: -192.519 bonds (distance) P-C4' energy: -175.870 flat angles C4'-P-C4' energy: -218.401 flat angles P-C4'-P energy: -140.653 tors. eta vs tors. theta energy: -310.679 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: 216 Temperature: 1.000000 Total energy: -3597.712868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.712868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.712868 (E_RNA) where: Base-Base interactions energy: -2623.045 where: short stacking energy: -1001.428 Base-Backbone interact. energy: -2.260 local terms energy: -972.408179 where: bonds (distance) C4'-P energy: -170.434 bonds (distance) P-C4' energy: -179.867 flat angles C4'-P-C4' energy: -196.798 flat angles P-C4'-P energy: -138.171 tors. eta vs tors. theta energy: -287.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -3494.105324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3494.105324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3494.105324 (E_RNA) where: Base-Base interactions energy: -2510.758 where: short stacking energy: -979.137 Base-Backbone interact. energy: 2.049 local terms energy: -985.396865 where: bonds (distance) C4'-P energy: -181.930 bonds (distance) P-C4' energy: -176.771 flat angles C4'-P-C4' energy: -200.241 flat angles P-C4'-P energy: -135.885 tors. eta vs tors. theta energy: -290.570 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: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -3417.299136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3417.299136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3417.299136 (E_RNA) where: Base-Base interactions energy: -2460.666 where: short stacking energy: -954.911 Base-Backbone interact. energy: -1.768 local terms energy: -954.865365 where: bonds (distance) C4'-P energy: -158.975 bonds (distance) P-C4' energy: -173.168 flat angles C4'-P-C4' energy: -205.051 flat angles P-C4'-P energy: -142.895 tors. eta vs tors. theta energy: -274.775 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: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -3280.124126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.124126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.124126 (E_RNA) where: Base-Base interactions energy: -2365.290 where: short stacking energy: -930.221 Base-Backbone interact. energy: -1.576 local terms energy: -913.258259 where: bonds (distance) C4'-P energy: -153.453 bonds (distance) P-C4' energy: -156.797 flat angles C4'-P-C4' energy: -190.304 flat angles P-C4'-P energy: -134.532 tors. eta vs tors. theta energy: -278.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -3209.519295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.519295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.519295 (E_RNA) where: Base-Base interactions energy: -2304.485 where: short stacking energy: -896.135 Base-Backbone interact. energy: -0.782 local terms energy: -904.252992 where: bonds (distance) C4'-P energy: -147.905 bonds (distance) P-C4' energy: -152.961 flat angles C4'-P-C4' energy: -197.920 flat angles P-C4'-P energy: -140.159 tors. eta vs tors. theta energy: -265.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -3093.956844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.956844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.956844 (E_RNA) where: Base-Base interactions energy: -2240.624 where: short stacking energy: -883.023 Base-Backbone interact. energy: 5.912 local terms energy: -859.245189 where: bonds (distance) C4'-P energy: -144.602 bonds (distance) P-C4' energy: -149.937 flat angles C4'-P-C4' energy: -200.320 flat angles P-C4'-P energy: -110.444 tors. eta vs tors. theta energy: -253.942 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: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -2922.511939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.511939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.511939 (E_RNA) where: Base-Base interactions energy: -2073.351 where: short stacking energy: -823.485 Base-Backbone interact. energy: 5.456 local terms energy: -854.616649 where: bonds (distance) C4'-P energy: -153.446 bonds (distance) P-C4' energy: -145.053 flat angles C4'-P-C4' energy: -176.837 flat angles P-C4'-P energy: -125.289 tors. eta vs tors. theta energy: -253.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -2517.902392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.902392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.902392 (E_RNA) where: Base-Base interactions energy: -1784.138 where: short stacking energy: -693.376 Base-Backbone interact. energy: -2.510 local terms energy: -731.253861 where: bonds (distance) C4'-P energy: -144.584 bonds (distance) P-C4' energy: -163.791 flat angles C4'-P-C4' energy: -154.960 flat angles P-C4'-P energy: -95.638 tors. eta vs tors. theta energy: -172.281 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: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3830.904101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3830.904101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3830.904101 (E_RNA) where: Base-Base interactions energy: -2801.417 where: short stacking energy: -1087.057 Base-Backbone interact. energy: -1.249 local terms energy: -1028.237140 where: bonds (distance) C4'-P energy: -162.189 bonds (distance) P-C4' energy: -193.810 flat angles C4'-P-C4' energy: -214.049 flat angles P-C4'-P energy: -146.563 tors. eta vs tors. theta energy: -311.626 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: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -3756.768556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.768556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.768556 (E_RNA) where: Base-Base interactions energy: -2721.749 where: short stacking energy: -1069.787 Base-Backbone interact. energy: -2.298 local terms energy: -1032.720940 where: bonds (distance) C4'-P energy: -184.229 bonds (distance) P-C4' energy: -187.846 flat angles C4'-P-C4' energy: -217.261 flat angles P-C4'-P energy: -143.292 tors. eta vs tors. theta energy: -300.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -3635.256422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3635.256422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3635.256422 (E_RNA) where: Base-Base interactions energy: -2629.082 where: short stacking energy: -1011.838 Base-Backbone interact. energy: -1.231 local terms energy: -1004.943570 where: bonds (distance) C4'-P energy: -167.394 bonds (distance) P-C4' energy: -181.485 flat angles C4'-P-C4' energy: -211.929 flat angles P-C4'-P energy: -144.559 tors. eta vs tors. theta energy: -299.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -3520.030014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3520.030014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3520.030014 (E_RNA) where: Base-Base interactions energy: -2549.127 where: short stacking energy: -1003.491 Base-Backbone interact. energy: -1.074 local terms energy: -969.829355 where: bonds (distance) C4'-P energy: -171.201 bonds (distance) P-C4' energy: -159.712 flat angles C4'-P-C4' energy: -195.088 flat angles P-C4'-P energy: -152.818 tors. eta vs tors. theta energy: -291.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -3396.447315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.447315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.447315 (E_RNA) where: Base-Base interactions energy: -2464.456 where: short stacking energy: -974.540 Base-Backbone interact. energy: -0.241 local terms energy: -931.750138 where: bonds (distance) C4'-P energy: -155.009 bonds (distance) P-C4' energy: -159.073 flat angles C4'-P-C4' energy: -206.270 flat angles P-C4'-P energy: -130.030 tors. eta vs tors. theta energy: -281.368 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: 6, replica: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -3272.151604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.151604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.151604 (E_RNA) where: Base-Base interactions energy: -2366.687 where: short stacking energy: -934.103 Base-Backbone interact. energy: -0.865 local terms energy: -904.600096 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -165.335 flat angles C4'-P-C4' energy: -197.815 flat angles P-C4'-P energy: -129.999 tors. eta vs tors. theta energy: -269.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -3204.400850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.400850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.400850 (E_RNA) where: Base-Base interactions energy: -2335.346 where: short stacking energy: -930.992 Base-Backbone interact. energy: -2.578 local terms energy: -866.476408 where: bonds (distance) C4'-P energy: -143.703 bonds (distance) P-C4' energy: -166.213 flat angles C4'-P-C4' energy: -179.575 flat angles P-C4'-P energy: -114.461 tors. eta vs tors. theta energy: -262.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -3085.766314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.766314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.766314 (E_RNA) where: Base-Base interactions energy: -2229.999 where: short stacking energy: -863.828 Base-Backbone interact. energy: -2.016 local terms energy: -853.751669 where: bonds (distance) C4'-P energy: -139.185 bonds (distance) P-C4' energy: -152.330 flat angles C4'-P-C4' energy: -188.318 flat angles P-C4'-P energy: -117.591 tors. eta vs tors. theta energy: -256.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -2813.589596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.589596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.589596 (E_RNA) where: Base-Base interactions energy: -2014.714 where: short stacking energy: -773.099 Base-Backbone interact. energy: -1.684 local terms energy: -797.191393 where: bonds (distance) C4'-P energy: -149.004 bonds (distance) P-C4' energy: -141.184 flat angles C4'-P-C4' energy: -181.110 flat angles P-C4'-P energy: -117.246 tors. eta vs tors. theta energy: -208.647 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: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -2513.335345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.335345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.335345 (E_RNA) where: Base-Base interactions energy: -1789.288 where: short stacking energy: -716.638 Base-Backbone interact. energy: 1.796 local terms energy: -725.844086 where: bonds (distance) C4'-P energy: -125.055 bonds (distance) P-C4' energy: -150.488 flat angles C4'-P-C4' energy: -155.037 flat angles P-C4'-P energy: -109.007 tors. eta vs tors. theta energy: -186.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3848.093421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3848.093421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3848.093421 (E_RNA) where: Base-Base interactions energy: -2792.852 where: short stacking energy: -1101.087 Base-Backbone interact. energy: -2.126 local terms energy: -1053.115254 where: bonds (distance) C4'-P energy: -184.038 bonds (distance) P-C4' energy: -191.860 flat angles C4'-P-C4' energy: -216.703 flat angles P-C4'-P energy: -147.087 tors. eta vs tors. theta energy: -313.427 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: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -3751.393819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3751.393819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3751.393819 (E_RNA) where: Base-Base interactions energy: -2736.710 where: short stacking energy: -1069.853 Base-Backbone interact. energy: -0.510 local terms energy: -1014.173034 where: bonds (distance) C4'-P energy: -158.821 bonds (distance) P-C4' energy: -175.210 flat angles C4'-P-C4' energy: -219.510 flat angles P-C4'-P energy: -159.316 tors. eta vs tors. theta energy: -301.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -3597.070281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.070281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.070281 (E_RNA) where: Base-Base interactions energy: -2590.526 where: short stacking energy: -989.778 Base-Backbone interact. energy: -2.679 local terms energy: -1003.865450 where: bonds (distance) C4'-P energy: -168.686 bonds (distance) P-C4' energy: -186.400 flat angles C4'-P-C4' energy: -210.148 flat angles P-C4'-P energy: -142.056 tors. eta vs tors. theta energy: -296.576 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: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -3488.071989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.071989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.071989 (E_RNA) where: Base-Base interactions energy: -2514.944 where: short stacking energy: -1003.614 Base-Backbone interact. energy: -2.056 local terms energy: -971.072463 where: bonds (distance) C4'-P energy: -176.830 bonds (distance) P-C4' energy: -159.390 flat angles C4'-P-C4' energy: -203.565 flat angles P-C4'-P energy: -132.330 tors. eta vs tors. theta energy: -298.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -3404.784510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3404.784510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3404.784510 (E_RNA) where: Base-Base interactions energy: -2463.459 where: short stacking energy: -950.386 Base-Backbone interact. energy: 0.202 local terms energy: -941.527420 where: bonds (distance) C4'-P energy: -150.927 bonds (distance) P-C4' energy: -171.350 flat angles C4'-P-C4' energy: -202.352 flat angles P-C4'-P energy: -134.338 tors. eta vs tors. theta energy: -282.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -3327.333145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.333145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.333145 (E_RNA) where: Base-Base interactions energy: -2395.698 where: short stacking energy: -942.285 Base-Backbone interact. energy: -1.328 local terms energy: -930.306297 where: bonds (distance) C4'-P energy: -151.902 bonds (distance) P-C4' energy: -165.251 flat angles C4'-P-C4' energy: -190.232 flat angles P-C4'-P energy: -142.828 tors. eta vs tors. theta energy: -280.094 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: 9 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -3220.351717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.351717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.351717 (E_RNA) where: Base-Base interactions energy: -2320.615 where: short stacking energy: -931.283 Base-Backbone interact. energy: -2.640 local terms energy: -897.096376 where: bonds (distance) C4'-P energy: -155.951 bonds (distance) P-C4' energy: -161.077 flat angles C4'-P-C4' energy: -181.432 flat angles P-C4'-P energy: -125.538 tors. eta vs tors. theta energy: -273.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -3094.027433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.027433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.027433 (E_RNA) where: Base-Base interactions energy: -2250.211 where: short stacking energy: -892.740 Base-Backbone interact. energy: 5.792 local terms energy: -849.608697 where: bonds (distance) C4'-P energy: -131.074 bonds (distance) P-C4' energy: -151.582 flat angles C4'-P-C4' energy: -176.423 flat angles P-C4'-P energy: -127.262 tors. eta vs tors. theta energy: -263.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -2840.572225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.572225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.572225 (E_RNA) where: Base-Base interactions energy: -2029.260 where: short stacking energy: -792.716 Base-Backbone interact. energy: 3.116 local terms energy: -814.428120 where: bonds (distance) C4'-P energy: -159.575 bonds (distance) P-C4' energy: -172.407 flat angles C4'-P-C4' energy: -153.963 flat angles P-C4'-P energy: -108.254 tors. eta vs tors. theta energy: -220.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -2511.770342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.770342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.770342 (E_RNA) where: Base-Base interactions energy: -1768.053 where: short stacking energy: -712.337 Base-Backbone interact. energy: 2.403 local terms energy: -746.120100 where: bonds (distance) C4'-P energy: -118.288 bonds (distance) P-C4' energy: -164.279 flat angles C4'-P-C4' energy: -182.075 flat angles P-C4'-P energy: -93.236 tors. eta vs tors. theta energy: -188.243 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: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3822.379366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3822.379366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3822.379366 (E_RNA) where: Base-Base interactions energy: -2768.306 where: short stacking energy: -1054.601 Base-Backbone interact. energy: 0.311 local terms energy: -1054.383685 where: bonds (distance) C4'-P energy: -192.060 bonds (distance) P-C4' energy: -195.469 flat angles C4'-P-C4' energy: -221.331 flat angles P-C4'-P energy: -140.336 tors. eta vs tors. theta energy: -305.187 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: 219 Temperature: 0.950000 Total energy: -3736.442511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3736.442511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3736.442511 (E_RNA) where: Base-Base interactions energy: -2703.240 where: short stacking energy: -1050.787 Base-Backbone interact. energy: -2.026 local terms energy: -1031.176906 where: bonds (distance) C4'-P energy: -176.504 bonds (distance) P-C4' energy: -174.931 flat angles C4'-P-C4' energy: -224.325 flat angles P-C4'-P energy: -143.778 tors. eta vs tors. theta energy: -311.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -3567.023944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3567.023944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3567.023944 (E_RNA) where: Base-Base interactions energy: -2589.152 where: short stacking energy: -1019.683 Base-Backbone interact. energy: -2.891 local terms energy: -974.981224 where: bonds (distance) C4'-P energy: -173.759 bonds (distance) P-C4' energy: -159.421 flat angles C4'-P-C4' energy: -208.439 flat angles P-C4'-P energy: -136.558 tors. eta vs tors. theta energy: -296.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -3504.609237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3504.609237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3504.609237 (E_RNA) where: Base-Base interactions energy: -2548.827 where: short stacking energy: -1001.772 Base-Backbone interact. energy: 3.710 local terms energy: -959.492358 where: bonds (distance) C4'-P energy: -170.281 bonds (distance) P-C4' energy: -182.061 flat angles C4'-P-C4' energy: -191.876 flat angles P-C4'-P energy: -133.054 tors. eta vs tors. theta energy: -282.220 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: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -3368.658774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.658774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.658774 (E_RNA) where: Base-Base interactions energy: -2451.732 where: short stacking energy: -959.373 Base-Backbone interact. energy: -1.270 local terms energy: -915.656257 where: bonds (distance) C4'-P energy: -151.887 bonds (distance) P-C4' energy: -159.691 flat angles C4'-P-C4' energy: -208.249 flat angles P-C4'-P energy: -121.607 tors. eta vs tors. theta energy: -274.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -3313.559466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.559466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.559466 (E_RNA) where: Base-Base interactions energy: -2401.040 where: short stacking energy: -973.453 Base-Backbone interact. energy: 4.635 local terms energy: -917.154157 where: bonds (distance) C4'-P energy: -131.700 bonds (distance) P-C4' energy: -182.622 flat angles C4'-P-C4' energy: -191.554 flat angles P-C4'-P energy: -136.451 tors. eta vs tors. theta energy: -274.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -3185.384165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.384165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.384165 (E_RNA) where: Base-Base interactions energy: -2311.562 where: short stacking energy: -930.246 Base-Backbone interact. energy: -1.095 local terms energy: -872.726886 where: bonds (distance) C4'-P energy: -156.200 bonds (distance) P-C4' energy: -139.126 flat angles C4'-P-C4' energy: -185.901 flat angles P-C4'-P energy: -120.873 tors. eta vs tors. theta energy: -270.628 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: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -3074.567037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.567037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.567037 (E_RNA) where: Base-Base interactions energy: -2194.963 where: short stacking energy: -854.493 Base-Backbone interact. energy: 0.670 local terms energy: -880.273257 where: bonds (distance) C4'-P energy: -151.829 bonds (distance) P-C4' energy: -161.111 flat angles C4'-P-C4' energy: -189.645 flat angles P-C4'-P energy: -109.364 tors. eta vs tors. theta energy: -268.325 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: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -2877.466522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.466522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.466522 (E_RNA) where: Base-Base interactions energy: -2096.453 where: short stacking energy: -832.387 Base-Backbone interact. energy: -0.749 local terms energy: -780.264476 where: bonds (distance) C4'-P energy: -145.157 bonds (distance) P-C4' energy: -121.802 flat angles C4'-P-C4' energy: -167.889 flat angles P-C4'-P energy: -118.858 tors. eta vs tors. theta energy: -226.559 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: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -2376.266925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.266925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.266925 (E_RNA) where: Base-Base interactions energy: -1676.884 where: short stacking energy: -691.501 Base-Backbone interact. energy: -0.628 local terms energy: -698.755039 where: bonds (distance) C4'-P energy: -121.649 bonds (distance) P-C4' energy: -120.531 flat angles C4'-P-C4' energy: -170.628 flat angles P-C4'-P energy: -128.694 tors. eta vs tors. theta energy: -157.253 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: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3830.509724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3830.509724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3830.509724 (E_RNA) where: Base-Base interactions energy: -2795.310 where: short stacking energy: -1076.636 Base-Backbone interact. energy: -2.949 local terms energy: -1032.250729 where: bonds (distance) C4'-P energy: -169.497 bonds (distance) P-C4' energy: -186.866 flat angles C4'-P-C4' energy: -217.682 flat angles P-C4'-P energy: -149.830 tors. eta vs tors. theta energy: -308.375 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: 220 Temperature: 0.950000 Total energy: -3759.013579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3759.013579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3759.013579 (E_RNA) where: Base-Base interactions energy: -2726.993 where: short stacking energy: -1059.301 Base-Backbone interact. energy: 2.530 local terms energy: -1034.550315 where: bonds (distance) C4'-P energy: -172.605 bonds (distance) P-C4' energy: -188.571 flat angles C4'-P-C4' energy: -227.569 flat angles P-C4'-P energy: -148.760 tors. eta vs tors. theta energy: -297.046 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: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -3625.988761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.988761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.988761 (E_RNA) where: Base-Base interactions energy: -2647.294 where: short stacking energy: -1019.153 Base-Backbone interact. energy: -1.366 local terms energy: -977.328708 where: bonds (distance) C4'-P energy: -167.856 bonds (distance) P-C4' energy: -175.580 flat angles C4'-P-C4' energy: -200.228 flat angles P-C4'-P energy: -135.784 tors. eta vs tors. theta energy: -297.880 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: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -3472.259001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.259001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.259001 (E_RNA) where: Base-Base interactions energy: -2515.404 where: short stacking energy: -991.702 Base-Backbone interact. energy: -2.287 local terms energy: -954.567889 where: bonds (distance) C4'-P energy: -158.866 bonds (distance) P-C4' energy: -170.360 flat angles C4'-P-C4' energy: -190.885 flat angles P-C4'-P energy: -140.728 tors. eta vs tors. theta energy: -293.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -3381.236236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3381.236236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3381.236236 (E_RNA) where: Base-Base interactions energy: -2430.319 where: short stacking energy: -945.869 Base-Backbone interact. energy: -3.135 local terms energy: -947.782968 where: bonds (distance) C4'-P energy: -168.765 bonds (distance) P-C4' energy: -165.131 flat angles C4'-P-C4' energy: -201.229 flat angles P-C4'-P energy: -129.792 tors. eta vs tors. theta energy: -282.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -3342.459104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3342.459104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3342.459104 (E_RNA) where: Base-Base interactions energy: -2399.141 where: short stacking energy: -954.515 Base-Backbone interact. energy: 7.202 local terms energy: -950.520429 where: bonds (distance) C4'-P energy: -174.630 bonds (distance) P-C4' energy: -153.554 flat angles C4'-P-C4' energy: -195.829 flat angles P-C4'-P energy: -141.062 tors. eta vs tors. theta energy: -285.445 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: 9 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -3213.972831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.972831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.972831 (E_RNA) where: Base-Base interactions energy: -2333.371 where: short stacking energy: -935.752 Base-Backbone interact. energy: -2.648 local terms energy: -877.953441 where: bonds (distance) C4'-P energy: -126.053 bonds (distance) P-C4' energy: -155.419 flat angles C4'-P-C4' energy: -191.588 flat angles P-C4'-P energy: -144.027 tors. eta vs tors. theta energy: -260.866 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: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -3081.509017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.509017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.509017 (E_RNA) where: Base-Base interactions energy: -2227.529 where: short stacking energy: -877.102 Base-Backbone interact. energy: 0.380 local terms energy: -854.359796 where: bonds (distance) C4'-P energy: -139.079 bonds (distance) P-C4' energy: -146.147 flat angles C4'-P-C4' energy: -197.832 flat angles P-C4'-P energy: -107.039 tors. eta vs tors. theta energy: -264.263 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: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -2947.303878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.303878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.303878 (E_RNA) where: Base-Base interactions energy: -2147.034 where: short stacking energy: -826.018 Base-Backbone interact. energy: -1.591 local terms energy: -798.678653 where: bonds (distance) C4'-P energy: -135.304 bonds (distance) P-C4' energy: -143.363 flat angles C4'-P-C4' energy: -170.210 flat angles P-C4'-P energy: -115.313 tors. eta vs tors. theta energy: -234.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -2483.381333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.381333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.381333 (E_RNA) where: Base-Base interactions energy: -1757.472 where: short stacking energy: -682.510 Base-Backbone interact. energy: 0.053 local terms energy: -725.962687 where: bonds (distance) C4'-P energy: -147.276 bonds (distance) P-C4' energy: -135.103 flat angles C4'-P-C4' energy: -159.366 flat angles P-C4'-P energy: -112.755 tors. eta vs tors. theta energy: -171.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3844.464152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3844.464152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3844.464152 (E_RNA) where: Base-Base interactions energy: -2769.449 where: short stacking energy: -1053.115 Base-Backbone interact. energy: -1.134 local terms energy: -1073.880924 where: bonds (distance) C4'-P energy: -192.686 bonds (distance) P-C4' energy: -183.901 flat angles C4'-P-C4' energy: -224.848 flat angles P-C4'-P energy: -155.277 tors. eta vs tors. theta energy: -317.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -3732.765236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3732.765236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3732.765236 (E_RNA) where: Base-Base interactions energy: -2705.113 where: short stacking energy: -1037.295 Base-Backbone interact. energy: -4.556 local terms energy: -1023.096939 where: bonds (distance) C4'-P energy: -180.562 bonds (distance) P-C4' energy: -184.883 flat angles C4'-P-C4' energy: -213.415 flat angles P-C4'-P energy: -153.439 tors. eta vs tors. theta energy: -290.798 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: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -3638.698269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3638.698269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3638.698269 (E_RNA) where: Base-Base interactions energy: -2642.344 where: short stacking energy: -1014.372 Base-Backbone interact. energy: -2.185 local terms energy: -994.169087 where: bonds (distance) C4'-P energy: -163.148 bonds (distance) P-C4' energy: -159.414 flat angles C4'-P-C4' energy: -222.910 flat angles P-C4'-P energy: -147.285 tors. eta vs tors. theta energy: -301.412 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: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -3464.639977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.639977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.639977 (E_RNA) where: Base-Base interactions energy: -2520.521 where: short stacking energy: -979.051 Base-Backbone interact. energy: -1.075 local terms energy: -943.043761 where: bonds (distance) C4'-P energy: -162.378 bonds (distance) P-C4' energy: -145.556 flat angles C4'-P-C4' energy: -210.925 flat angles P-C4'-P energy: -150.958 tors. eta vs tors. theta energy: -273.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -3454.733240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.733240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.733240 (E_RNA) where: Base-Base interactions energy: -2496.525 where: short stacking energy: -961.190 Base-Backbone interact. energy: -1.661 local terms energy: -956.547783 where: bonds (distance) C4'-P energy: -160.837 bonds (distance) P-C4' energy: -182.322 flat angles C4'-P-C4' energy: -211.508 flat angles P-C4'-P energy: -111.573 tors. eta vs tors. theta energy: -290.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -3429.847068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3429.847068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3429.847068 (E_RNA) where: Base-Base interactions energy: -2478.726 where: short stacking energy: -985.785 Base-Backbone interact. energy: -0.331 local terms energy: -950.790764 where: bonds (distance) C4'-P energy: -175.836 bonds (distance) P-C4' energy: -147.966 flat angles C4'-P-C4' energy: -214.191 flat angles P-C4'-P energy: -131.378 tors. eta vs tors. theta energy: -281.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -3232.772965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.772965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.772965 (E_RNA) where: Base-Base interactions energy: -2323.011 where: short stacking energy: -926.467 Base-Backbone interact. energy: -0.404 local terms energy: -909.358274 where: bonds (distance) C4'-P energy: -152.212 bonds (distance) P-C4' energy: -168.384 flat angles C4'-P-C4' energy: -184.509 flat angles P-C4'-P energy: -143.746 tors. eta vs tors. theta energy: -260.507 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: 221 Temperature: 1.250000 Total energy: -3070.717600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.717600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.717600 (E_RNA) where: Base-Base interactions energy: -2212.422 where: short stacking energy: -858.104 Base-Backbone interact. energy: 2.495 local terms energy: -860.790645 where: bonds (distance) C4'-P energy: -152.031 bonds (distance) P-C4' energy: -159.528 flat angles C4'-P-C4' energy: -187.236 flat angles P-C4'-P energy: -119.923 tors. eta vs tors. theta energy: -242.072 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: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -2945.354803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.354803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.354803 (E_RNA) where: Base-Base interactions energy: -2125.690 where: short stacking energy: -850.221 Base-Backbone interact. energy: 2.365 local terms energy: -822.029589 where: bonds (distance) C4'-P energy: -152.713 bonds (distance) P-C4' energy: -146.000 flat angles C4'-P-C4' energy: -169.928 flat angles P-C4'-P energy: -119.114 tors. eta vs tors. theta energy: -234.275 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: 221 Temperature: 1.350000 Total energy: -2532.540144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.540144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.540144 (E_RNA) where: Base-Base interactions energy: -1813.305 where: short stacking energy: -738.619 Base-Backbone interact. energy: 7.515 local terms energy: -726.750266 where: bonds (distance) C4'-P energy: -112.745 bonds (distance) P-C4' energy: -141.314 flat angles C4'-P-C4' energy: -176.348 flat angles P-C4'-P energy: -92.630 tors. eta vs tors. theta energy: -203.714 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: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3843.700246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3843.700246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3843.700246 (E_RNA) where: Base-Base interactions energy: -2800.538 where: short stacking energy: -1082.803 Base-Backbone interact. energy: -2.167 local terms energy: -1040.994707 where: bonds (distance) C4'-P energy: -195.117 bonds (distance) P-C4' energy: -180.513 flat angles C4'-P-C4' energy: -216.049 flat angles P-C4'-P energy: -135.758 tors. eta vs tors. theta energy: -313.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -3738.993863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3738.993863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3738.993863 (E_RNA) where: Base-Base interactions energy: -2718.366 where: short stacking energy: -1061.361 Base-Backbone interact. energy: 0.489 local terms energy: -1021.116895 where: bonds (distance) C4'-P energy: -185.714 bonds (distance) P-C4' energy: -183.964 flat angles C4'-P-C4' energy: -212.572 flat angles P-C4'-P energy: -138.266 tors. eta vs tors. theta energy: -300.602 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -3584.780208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3584.780208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3584.780208 (E_RNA) where: Base-Base interactions energy: -2587.064 where: short stacking energy: -1003.858 Base-Backbone interact. energy: -0.977 local terms energy: -996.739989 where: bonds (distance) C4'-P energy: -174.771 bonds (distance) P-C4' energy: -180.628 flat angles C4'-P-C4' energy: -210.138 flat angles P-C4'-P energy: -131.203 tors. eta vs tors. theta energy: -300.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -3477.706509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.706509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.706509 (E_RNA) where: Base-Base interactions energy: -2510.523 where: short stacking energy: -1014.168 Base-Backbone interact. energy: -1.131 local terms energy: -966.051760 where: bonds (distance) C4'-P energy: -159.569 bonds (distance) P-C4' energy: -182.612 flat angles C4'-P-C4' energy: -194.270 flat angles P-C4'-P energy: -134.236 tors. eta vs tors. theta energy: -295.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -3450.850379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.850379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.850379 (E_RNA) where: Base-Base interactions energy: -2489.645 where: short stacking energy: -969.857 Base-Backbone interact. energy: 0.073 local terms energy: -961.278860 where: bonds (distance) C4'-P energy: -163.798 bonds (distance) P-C4' energy: -172.389 flat angles C4'-P-C4' energy: -197.895 flat angles P-C4'-P energy: -145.153 tors. eta vs tors. theta energy: -282.043 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: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -3357.073919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3357.073919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3357.073919 (E_RNA) where: Base-Base interactions energy: -2456.931 where: short stacking energy: -946.120 Base-Backbone interact. energy: -1.257 local terms energy: -898.885971 where: bonds (distance) C4'-P energy: -145.583 bonds (distance) P-C4' energy: -151.715 flat angles C4'-P-C4' energy: -203.601 flat angles P-C4'-P energy: -121.209 tors. eta vs tors. theta energy: -276.778 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: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -3206.545630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.545630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.545630 (E_RNA) where: Base-Base interactions energy: -2309.357 where: short stacking energy: -905.889 Base-Backbone interact. energy: -1.439 local terms energy: -895.750149 where: bonds (distance) C4'-P energy: -173.070 bonds (distance) P-C4' energy: -156.607 flat angles C4'-P-C4' energy: -196.057 flat angles P-C4'-P energy: -113.711 tors. eta vs tors. theta energy: -256.306 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: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -3043.317998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.317998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.317998 (E_RNA) where: Base-Base interactions energy: -2194.354 where: short stacking energy: -850.296 Base-Backbone interact. energy: -2.035 local terms energy: -846.929125 where: bonds (distance) C4'-P energy: -143.834 bonds (distance) P-C4' energy: -146.893 flat angles C4'-P-C4' energy: -187.637 flat angles P-C4'-P energy: -128.646 tors. eta vs tors. theta energy: -239.919 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: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -2862.604470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.604470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.604470 (E_RNA) where: Base-Base interactions energy: -2054.446 where: short stacking energy: -801.017 Base-Backbone interact. energy: 0.922 local terms energy: -809.080316 where: bonds (distance) C4'-P energy: -148.428 bonds (distance) P-C4' energy: -152.443 flat angles C4'-P-C4' energy: -170.276 flat angles P-C4'-P energy: -115.817 tors. eta vs tors. theta energy: -222.116 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: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -2511.403879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.403879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.403879 (E_RNA) where: Base-Base interactions energy: -1807.199 where: short stacking energy: -727.883 Base-Backbone interact. energy: 9.118 local terms energy: -713.323433 where: bonds (distance) C4'-P energy: -144.553 bonds (distance) P-C4' energy: -119.476 flat angles C4'-P-C4' energy: -163.668 flat angles P-C4'-P energy: -109.562 tors. eta vs tors. theta energy: -176.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3838.172458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3838.172458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3838.172458 (E_RNA) where: Base-Base interactions energy: -2780.976 where: short stacking energy: -1068.196 Base-Backbone interact. energy: -1.993 local terms energy: -1055.203835 where: bonds (distance) C4'-P energy: -178.770 bonds (distance) P-C4' energy: -197.223 flat angles C4'-P-C4' energy: -220.221 flat angles P-C4'-P energy: -144.279 tors. eta vs tors. theta energy: -314.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -3759.411834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3759.411834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3759.411834 (E_RNA) where: Base-Base interactions energy: -2731.632 where: short stacking energy: -1066.922 Base-Backbone interact. energy: 0.259 local terms energy: -1028.037923 where: bonds (distance) C4'-P energy: -164.740 bonds (distance) P-C4' energy: -187.908 flat angles C4'-P-C4' energy: -213.753 flat angles P-C4'-P energy: -149.856 tors. eta vs tors. theta energy: -311.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -3576.906033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3576.906033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3576.906033 (E_RNA) where: Base-Base interactions energy: -2589.759 where: short stacking energy: -1004.073 Base-Backbone interact. energy: 1.886 local terms energy: -989.032880 where: bonds (distance) C4'-P energy: -170.611 bonds (distance) P-C4' energy: -167.971 flat angles C4'-P-C4' energy: -208.416 flat angles P-C4'-P energy: -151.726 tors. eta vs tors. theta energy: -290.307 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: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -3484.071889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.071889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.071889 (E_RNA) where: Base-Base interactions energy: -2519.034 where: short stacking energy: -1028.304 Base-Backbone interact. energy: 0.855 local terms energy: -965.892463 where: bonds (distance) C4'-P energy: -145.587 bonds (distance) P-C4' energy: -165.545 flat angles C4'-P-C4' energy: -206.856 flat angles P-C4'-P energy: -146.415 tors. eta vs tors. theta energy: -301.489 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: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -3465.701272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3465.701272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3465.701272 (E_RNA) where: Base-Base interactions energy: -2491.018 where: short stacking energy: -971.505 Base-Backbone interact. energy: -2.269 local terms energy: -972.413544 where: bonds (distance) C4'-P energy: -165.515 bonds (distance) P-C4' energy: -165.612 flat angles C4'-P-C4' energy: -200.879 flat angles P-C4'-P energy: -145.933 tors. eta vs tors. theta energy: -294.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -3363.136896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3363.136896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3363.136896 (E_RNA) where: Base-Base interactions energy: -2441.207 where: short stacking energy: -966.917 Base-Backbone interact. energy: -1.767 local terms energy: -920.162281 where: bonds (distance) C4'-P energy: -164.510 bonds (distance) P-C4' energy: -161.109 flat angles C4'-P-C4' energy: -193.693 flat angles P-C4'-P energy: -119.122 tors. eta vs tors. theta energy: -281.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -3260.934317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.934317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.934317 (E_RNA) where: Base-Base interactions energy: -2363.795 where: short stacking energy: -944.554 Base-Backbone interact. energy: -1.959 local terms energy: -895.180617 where: bonds (distance) C4'-P energy: -161.630 bonds (distance) P-C4' energy: -152.811 flat angles C4'-P-C4' energy: -185.937 flat angles P-C4'-P energy: -123.212 tors. eta vs tors. theta energy: -271.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -3099.540621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.540621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.540621 (E_RNA) where: Base-Base interactions energy: -2226.969 where: short stacking energy: -856.315 Base-Backbone interact. energy: -1.183 local terms energy: -871.388671 where: bonds (distance) C4'-P energy: -145.187 bonds (distance) P-C4' energy: -153.874 flat angles C4'-P-C4' energy: -190.460 flat angles P-C4'-P energy: -121.278 tors. eta vs tors. theta energy: -260.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -2860.576655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.576655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.576655 (E_RNA) where: Base-Base interactions energy: -2047.570 where: short stacking energy: -809.624 Base-Backbone interact. energy: -0.861 local terms energy: -812.145677 where: bonds (distance) C4'-P energy: -132.882 bonds (distance) P-C4' energy: -159.283 flat angles C4'-P-C4' energy: -176.390 flat angles P-C4'-P energy: -120.230 tors. eta vs tors. theta energy: -223.361 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: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -2614.138798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.138798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.138798 (E_RNA) where: Base-Base interactions energy: -1907.824 where: short stacking energy: -745.957 Base-Backbone interact. energy: 0.048 local terms energy: -706.362199 where: bonds (distance) C4'-P energy: -121.509 bonds (distance) P-C4' energy: -139.581 flat angles C4'-P-C4' energy: -162.458 flat angles P-C4'-P energy: -87.562 tors. eta vs tors. theta energy: -195.252 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: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3866.169367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3866.169367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3866.169367 (E_RNA) where: Base-Base interactions energy: -2811.929 where: short stacking energy: -1104.078 Base-Backbone interact. energy: -5.287 local terms energy: -1048.953492 where: bonds (distance) C4'-P energy: -189.503 bonds (distance) P-C4' energy: -176.009 flat angles C4'-P-C4' energy: -212.438 flat angles P-C4'-P energy: -154.894 tors. eta vs tors. theta energy: -316.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -3774.134095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3774.134095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3774.134095 (E_RNA) where: Base-Base interactions energy: -2751.973 where: short stacking energy: -1078.291 Base-Backbone interact. energy: -0.579 local terms energy: -1021.581601 where: bonds (distance) C4'-P energy: -163.691 bonds (distance) P-C4' energy: -199.445 flat angles C4'-P-C4' energy: -215.323 flat angles P-C4'-P energy: -138.147 tors. eta vs tors. theta energy: -304.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -3566.439324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.439324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.439324 (E_RNA) where: Base-Base interactions energy: -2591.926 where: short stacking energy: -1001.792 Base-Backbone interact. energy: -1.100 local terms energy: -973.413093 where: bonds (distance) C4'-P energy: -169.839 bonds (distance) P-C4' energy: -167.047 flat angles C4'-P-C4' energy: -210.971 flat angles P-C4'-P energy: -139.827 tors. eta vs tors. theta energy: -285.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -3486.368332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3486.368332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3486.368332 (E_RNA) where: Base-Base interactions energy: -2535.964 where: short stacking energy: -978.667 Base-Backbone interact. energy: 0.966 local terms energy: -951.370802 where: bonds (distance) C4'-P energy: -154.723 bonds (distance) P-C4' energy: -170.226 flat angles C4'-P-C4' energy: -195.851 flat angles P-C4'-P energy: -150.572 tors. eta vs tors. theta energy: -279.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -3446.298300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3446.298300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3446.298300 (E_RNA) where: Base-Base interactions energy: -2507.127 where: short stacking energy: -978.123 Base-Backbone interact. energy: -0.865 local terms energy: -938.305935 where: bonds (distance) C4'-P energy: -160.356 bonds (distance) P-C4' energy: -154.712 flat angles C4'-P-C4' energy: -210.832 flat angles P-C4'-P energy: -125.796 tors. eta vs tors. theta energy: -286.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -3363.140192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3363.140192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3363.140192 (E_RNA) where: Base-Base interactions energy: -2459.002 where: short stacking energy: -960.236 Base-Backbone interact. energy: -3.418 local terms energy: -900.719872 where: bonds (distance) C4'-P energy: -148.559 bonds (distance) P-C4' energy: -148.692 flat angles C4'-P-C4' energy: -199.760 flat angles P-C4'-P energy: -127.175 tors. eta vs tors. theta energy: -276.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -3238.406299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.406299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.406299 (E_RNA) where: Base-Base interactions energy: -2346.531 where: short stacking energy: -909.535 Base-Backbone interact. energy: -1.970 local terms energy: -889.905579 where: bonds (distance) C4'-P energy: -129.168 bonds (distance) P-C4' energy: -175.302 flat angles C4'-P-C4' energy: -193.358 flat angles P-C4'-P energy: -119.466 tors. eta vs tors. theta energy: -272.611 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: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -3121.090112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.090112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.090112 (E_RNA) where: Base-Base interactions energy: -2270.820 where: short stacking energy: -880.818 Base-Backbone interact. energy: -0.794 local terms energy: -849.475629 where: bonds (distance) C4'-P energy: -146.183 bonds (distance) P-C4' energy: -140.731 flat angles C4'-P-C4' energy: -175.087 flat angles P-C4'-P energy: -129.657 tors. eta vs tors. theta energy: -257.818 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: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -2903.304020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.304020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.304020 (E_RNA) where: Base-Base interactions energy: -2130.462 where: short stacking energy: -815.824 Base-Backbone interact. energy: -2.293 local terms energy: -770.548694 where: bonds (distance) C4'-P energy: -148.070 bonds (distance) P-C4' energy: -117.439 flat angles C4'-P-C4' energy: -171.388 flat angles P-C4'-P energy: -107.212 tors. eta vs tors. theta energy: -226.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -2606.830073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.830073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.830073 (E_RNA) where: Base-Base interactions energy: -1892.584 where: short stacking energy: -732.570 Base-Backbone interact. energy: 2.853 local terms energy: -717.098825 where: bonds (distance) C4'-P energy: -114.284 bonds (distance) P-C4' energy: -147.215 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -85.880 tors. eta vs tors. theta energy: -204.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3844.947358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3844.947358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3844.947358 (E_RNA) where: Base-Base interactions energy: -2794.620 where: short stacking energy: -1077.014 Base-Backbone interact. energy: -4.620 local terms energy: -1045.708111 where: bonds (distance) C4'-P energy: -166.494 bonds (distance) P-C4' energy: -186.289 flat angles C4'-P-C4' energy: -227.574 flat angles P-C4'-P energy: -147.338 tors. eta vs tors. theta energy: -318.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -3747.527956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3747.527956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3747.527956 (E_RNA) where: Base-Base interactions energy: -2706.940 where: short stacking energy: -1046.341 Base-Backbone interact. energy: -1.882 local terms energy: -1038.705839 where: bonds (distance) C4'-P energy: -176.890 bonds (distance) P-C4' energy: -184.372 flat angles C4'-P-C4' energy: -209.405 flat angles P-C4'-P energy: -164.745 tors. eta vs tors. theta energy: -303.293 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: 225 Temperature: 1.000000 Total energy: -3601.863429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3601.863429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3601.863429 (E_RNA) where: Base-Base interactions energy: -2606.022 where: short stacking energy: -999.913 Base-Backbone interact. energy: -1.396 local terms energy: -994.446171 where: bonds (distance) C4'-P energy: -160.954 bonds (distance) P-C4' energy: -183.290 flat angles C4'-P-C4' energy: -210.148 flat angles P-C4'-P energy: -140.798 tors. eta vs tors. theta energy: -299.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -3537.185684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3537.185684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3537.185684 (E_RNA) where: Base-Base interactions energy: -2557.119 where: short stacking energy: -998.656 Base-Backbone interact. energy: -0.130 local terms energy: -979.936622 where: bonds (distance) C4'-P energy: -155.886 bonds (distance) P-C4' energy: -172.141 flat angles C4'-P-C4' energy: -209.975 flat angles P-C4'-P energy: -150.417 tors. eta vs tors. theta energy: -291.518 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: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -3427.548280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3427.548280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3427.548280 (E_RNA) where: Base-Base interactions energy: -2485.743 where: short stacking energy: -968.370 Base-Backbone interact. energy: -1.762 local terms energy: -940.043225 where: bonds (distance) C4'-P energy: -161.625 bonds (distance) P-C4' energy: -164.362 flat angles C4'-P-C4' energy: -195.187 flat angles P-C4'-P energy: -138.861 tors. eta vs tors. theta energy: -280.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -3366.646467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3366.646467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3366.646467 (E_RNA) where: Base-Base interactions energy: -2459.740 where: short stacking energy: -934.329 Base-Backbone interact. energy: -2.000 local terms energy: -904.905896 where: bonds (distance) C4'-P energy: -150.944 bonds (distance) P-C4' energy: -158.154 flat angles C4'-P-C4' energy: -202.695 flat angles P-C4'-P energy: -115.246 tors. eta vs tors. theta energy: -277.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -3243.282517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.282517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.282517 (E_RNA) where: Base-Base interactions energy: -2344.757 where: short stacking energy: -917.941 Base-Backbone interact. energy: -0.676 local terms energy: -897.849382 where: bonds (distance) C4'-P energy: -153.680 bonds (distance) P-C4' energy: -173.575 flat angles C4'-P-C4' energy: -183.611 flat angles P-C4'-P energy: -120.537 tors. eta vs tors. theta energy: -266.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -3090.275075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.275075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.275075 (E_RNA) where: Base-Base interactions energy: -2244.986 where: short stacking energy: -886.335 Base-Backbone interact. energy: -2.341 local terms energy: -842.948305 where: bonds (distance) C4'-P energy: -128.591 bonds (distance) P-C4' energy: -170.799 flat angles C4'-P-C4' energy: -169.086 flat angles P-C4'-P energy: -118.633 tors. eta vs tors. theta energy: -255.839 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: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -2898.165161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.165161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.165161 (E_RNA) where: Base-Base interactions energy: -2077.600 where: short stacking energy: -800.158 Base-Backbone interact. energy: -0.140 local terms energy: -820.425222 where: bonds (distance) C4'-P energy: -141.568 bonds (distance) P-C4' energy: -147.668 flat angles C4'-P-C4' energy: -183.204 flat angles P-C4'-P energy: -113.450 tors. eta vs tors. theta energy: -234.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -2553.744014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.744014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.744014 (E_RNA) where: Base-Base interactions energy: -1811.803 where: short stacking energy: -729.030 Base-Backbone interact. energy: -2.611 local terms energy: -739.330336 where: bonds (distance) C4'-P energy: -125.124 bonds (distance) P-C4' energy: -149.735 flat angles C4'-P-C4' energy: -174.071 flat angles P-C4'-P energy: -110.539 tors. eta vs tors. theta energy: -179.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3840.928540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3840.928540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3840.928540 (E_RNA) where: Base-Base interactions energy: -2816.512 where: short stacking energy: -1083.650 Base-Backbone interact. energy: -1.874 local terms energy: -1022.542261 where: bonds (distance) C4'-P energy: -188.857 bonds (distance) P-C4' energy: -174.840 flat angles C4'-P-C4' energy: -211.176 flat angles P-C4'-P energy: -143.545 tors. eta vs tors. theta energy: -304.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -3755.079364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.079364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.079364 (E_RNA) where: Base-Base interactions energy: -2735.832 where: short stacking energy: -1062.935 Base-Backbone interact. energy: -3.663 local terms energy: -1015.583906 where: bonds (distance) C4'-P energy: -185.446 bonds (distance) P-C4' energy: -166.932 flat angles C4'-P-C4' energy: -218.053 flat angles P-C4'-P energy: -137.886 tors. eta vs tors. theta energy: -307.267 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: 226 Temperature: 1.000000 Total energy: -3607.073579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.073579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.073579 (E_RNA) where: Base-Base interactions energy: -2621.801 where: short stacking energy: -1046.768 Base-Backbone interact. energy: -1.200 local terms energy: -984.072165 where: bonds (distance) C4'-P energy: -162.111 bonds (distance) P-C4' energy: -181.656 flat angles C4'-P-C4' energy: -205.212 flat angles P-C4'-P energy: -135.430 tors. eta vs tors. theta energy: -299.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -3532.993148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3532.993148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3532.993148 (E_RNA) where: Base-Base interactions energy: -2533.698 where: short stacking energy: -990.197 Base-Backbone interact. energy: 1.396 local terms energy: -1000.690893 where: bonds (distance) C4'-P energy: -168.815 bonds (distance) P-C4' energy: -175.715 flat angles C4'-P-C4' energy: -210.656 flat angles P-C4'-P energy: -154.331 tors. eta vs tors. theta energy: -291.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -3484.287754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.287754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.287754 (E_RNA) where: Base-Base interactions energy: -2522.263 where: short stacking energy: -1026.581 Base-Backbone interact. energy: -1.685 local terms energy: -960.340189 where: bonds (distance) C4'-P energy: -170.509 bonds (distance) P-C4' energy: -160.807 flat angles C4'-P-C4' energy: -187.432 flat angles P-C4'-P energy: -145.789 tors. eta vs tors. theta energy: -295.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -3439.397639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.397639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.397639 (E_RNA) where: Base-Base interactions energy: -2528.567 where: short stacking energy: -980.237 Base-Backbone interact. energy: -2.683 local terms energy: -908.147634 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -155.925 flat angles C4'-P-C4' energy: -200.006 flat angles P-C4'-P energy: -141.569 tors. eta vs tors. theta energy: -282.301 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: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -3237.339923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.339923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.339923 (E_RNA) where: Base-Base interactions energy: -2364.989 where: short stacking energy: -923.083 Base-Backbone interact. energy: -1.838 local terms energy: -870.512125 where: bonds (distance) C4'-P energy: -142.746 bonds (distance) P-C4' energy: -152.576 flat angles C4'-P-C4' energy: -184.024 flat angles P-C4'-P energy: -122.549 tors. eta vs tors. theta energy: -268.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -3078.186325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.186325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.186325 (E_RNA) where: Base-Base interactions energy: -2216.479 where: short stacking energy: -868.380 Base-Backbone interact. energy: -2.209 local terms energy: -859.498768 where: bonds (distance) C4'-P energy: -146.975 bonds (distance) P-C4' energy: -148.205 flat angles C4'-P-C4' energy: -191.532 flat angles P-C4'-P energy: -112.534 tors. eta vs tors. theta energy: -260.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -2910.841135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.841135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.841135 (E_RNA) where: Base-Base interactions energy: -2108.485 where: short stacking energy: -825.982 Base-Backbone interact. energy: 0.251 local terms energy: -802.607122 where: bonds (distance) C4'-P energy: -174.626 bonds (distance) P-C4' energy: -128.402 flat angles C4'-P-C4' energy: -154.491 flat angles P-C4'-P energy: -108.875 tors. eta vs tors. theta energy: -236.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -2553.461506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.461506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.461506 (E_RNA) where: Base-Base interactions energy: -1815.550 where: short stacking energy: -704.117 Base-Backbone interact. energy: -1.851 local terms energy: -736.060945 where: bonds (distance) C4'-P energy: -141.728 bonds (distance) P-C4' energy: -136.281 flat angles C4'-P-C4' energy: -168.424 flat angles P-C4'-P energy: -109.629 tors. eta vs tors. theta energy: -180.000 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: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3860.235213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3860.235213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3860.235213 (E_RNA) where: Base-Base interactions energy: -2807.151 where: short stacking energy: -1087.510 Base-Backbone interact. energy: -2.389 local terms energy: -1050.694474 where: bonds (distance) C4'-P energy: -189.689 bonds (distance) P-C4' energy: -180.922 flat angles C4'-P-C4' energy: -220.816 flat angles P-C4'-P energy: -154.572 tors. eta vs tors. theta energy: -304.695 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: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -3756.559144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.559144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.559144 (E_RNA) where: Base-Base interactions energy: -2749.225 where: short stacking energy: -1052.400 Base-Backbone interact. energy: 1.503 local terms energy: -1008.836659 where: bonds (distance) C4'-P energy: -175.619 bonds (distance) P-C4' energy: -173.642 flat angles C4'-P-C4' energy: -218.695 flat angles P-C4'-P energy: -135.987 tors. eta vs tors. theta energy: -304.893 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: 227 Temperature: 1.000000 Total energy: -3595.478716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3595.478716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3595.478716 (E_RNA) where: Base-Base interactions energy: -2620.464 where: short stacking energy: -1000.334 Base-Backbone interact. energy: -2.400 local terms energy: -972.614368 where: bonds (distance) C4'-P energy: -167.970 bonds (distance) P-C4' energy: -182.374 flat angles C4'-P-C4' energy: -189.477 flat angles P-C4'-P energy: -137.812 tors. eta vs tors. theta energy: -294.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -3512.755185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3512.755185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3512.755185 (E_RNA) where: Base-Base interactions energy: -2546.993 where: short stacking energy: -995.261 Base-Backbone interact. energy: 2.301 local terms energy: -968.063276 where: bonds (distance) C4'-P energy: -150.167 bonds (distance) P-C4' energy: -173.313 flat angles C4'-P-C4' energy: -204.332 flat angles P-C4'-P energy: -144.956 tors. eta vs tors. theta energy: -295.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -3385.426802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3385.426802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3385.426802 (E_RNA) where: Base-Base interactions energy: -2449.044 where: short stacking energy: -954.558 Base-Backbone interact. energy: 2.745 local terms energy: -939.128079 where: bonds (distance) C4'-P energy: -151.925 bonds (distance) P-C4' energy: -174.284 flat angles C4'-P-C4' energy: -194.617 flat angles P-C4'-P energy: -138.529 tors. eta vs tors. theta energy: -279.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -3408.682991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3408.682991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3408.682991 (E_RNA) where: Base-Base interactions energy: -2481.746 where: short stacking energy: -953.824 Base-Backbone interact. energy: -2.758 local terms energy: -924.179086 where: bonds (distance) C4'-P energy: -147.634 bonds (distance) P-C4' energy: -164.945 flat angles C4'-P-C4' energy: -210.201 flat angles P-C4'-P energy: -122.791 tors. eta vs tors. theta energy: -278.608 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: 9 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -3258.438484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.438484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.438484 (E_RNA) where: Base-Base interactions energy: -2332.958 where: short stacking energy: -917.046 Base-Backbone interact. energy: -2.311 local terms energy: -923.168761 where: bonds (distance) C4'-P energy: -160.149 bonds (distance) P-C4' energy: -165.462 flat angles C4'-P-C4' energy: -184.745 flat angles P-C4'-P energy: -141.724 tors. eta vs tors. theta energy: -271.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -3170.931352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.931352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.931352 (E_RNA) where: Base-Base interactions energy: -2316.902 where: short stacking energy: -907.979 Base-Backbone interact. energy: -2.043 local terms energy: -851.986128 where: bonds (distance) C4'-P energy: -145.332 bonds (distance) P-C4' energy: -165.104 flat angles C4'-P-C4' energy: -165.840 flat angles P-C4'-P energy: -113.663 tors. eta vs tors. theta energy: -262.047 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: 227 Temperature: 1.300000 Total energy: -2917.953814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.953814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.953814 (E_RNA) where: Base-Base interactions energy: -2124.196 where: short stacking energy: -825.588 Base-Backbone interact. energy: -0.294 local terms energy: -793.463810 where: bonds (distance) C4'-P energy: -120.805 bonds (distance) P-C4' energy: -148.089 flat angles C4'-P-C4' energy: -186.699 flat angles P-C4'-P energy: -116.853 tors. eta vs tors. theta energy: -221.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -2552.289023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.289023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.289023 (E_RNA) where: Base-Base interactions energy: -1849.637 where: short stacking energy: -727.763 Base-Backbone interact. energy: 1.461 local terms energy: -704.113588 where: bonds (distance) C4'-P energy: -135.597 bonds (distance) P-C4' energy: -135.257 flat angles C4'-P-C4' energy: -151.183 flat angles P-C4'-P energy: -92.799 tors. eta vs tors. theta energy: -189.277 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: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3868.827412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3868.827412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3868.827412 (E_RNA) where: Base-Base interactions energy: -2817.617 where: short stacking energy: -1087.669 Base-Backbone interact. energy: 0.654 local terms energy: -1051.864859 where: bonds (distance) C4'-P energy: -179.735 bonds (distance) P-C4' energy: -197.299 flat angles C4'-P-C4' energy: -219.914 flat angles P-C4'-P energy: -139.954 tors. eta vs tors. theta energy: -314.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -3727.907392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3727.907392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3727.907392 (E_RNA) where: Base-Base interactions energy: -2710.598 where: short stacking energy: -1054.640 Base-Backbone interact. energy: -0.292 local terms energy: -1017.017983 where: bonds (distance) C4'-P energy: -175.663 bonds (distance) P-C4' energy: -183.394 flat angles C4'-P-C4' energy: -201.017 flat angles P-C4'-P energy: -147.341 tors. eta vs tors. theta energy: -309.602 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: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -3602.324191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3602.324191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3602.324191 (E_RNA) where: Base-Base interactions energy: -2631.866 where: short stacking energy: -1025.417 Base-Backbone interact. energy: -0.748 local terms energy: -969.710883 where: bonds (distance) C4'-P energy: -148.863 bonds (distance) P-C4' energy: -169.308 flat angles C4'-P-C4' energy: -215.885 flat angles P-C4'-P energy: -144.806 tors. eta vs tors. theta energy: -290.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -3573.862152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3573.862152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3573.862152 (E_RNA) where: Base-Base interactions energy: -2588.396 where: short stacking energy: -1008.246 Base-Backbone interact. energy: 3.451 local terms energy: -988.917335 where: bonds (distance) C4'-P energy: -167.442 bonds (distance) P-C4' energy: -166.719 flat angles C4'-P-C4' energy: -208.461 flat angles P-C4'-P energy: -148.462 tors. eta vs tors. theta energy: -297.833 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: 228 Temperature: 1.100000 Total energy: -3414.656793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.656793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.656793 (E_RNA) where: Base-Base interactions energy: -2446.254 where: short stacking energy: -969.841 Base-Backbone interact. energy: -4.457 local terms energy: -963.946333 where: bonds (distance) C4'-P energy: -178.324 bonds (distance) P-C4' energy: -159.654 flat angles C4'-P-C4' energy: -202.301 flat angles P-C4'-P energy: -143.781 tors. eta vs tors. theta energy: -279.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -3403.720167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3403.720167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3403.720167 (E_RNA) where: Base-Base interactions energy: -2504.459 where: short stacking energy: -952.392 Base-Backbone interact. energy: -1.580 local terms energy: -897.681016 where: bonds (distance) C4'-P energy: -145.888 bonds (distance) P-C4' energy: -156.182 flat angles C4'-P-C4' energy: -199.667 flat angles P-C4'-P energy: -119.197 tors. eta vs tors. theta energy: -276.746 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: 9 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -3210.589027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.589027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.589027 (E_RNA) where: Base-Base interactions energy: -2314.959 where: short stacking energy: -908.499 Base-Backbone interact. energy: -0.575 local terms energy: -895.055018 where: bonds (distance) C4'-P energy: -143.179 bonds (distance) P-C4' energy: -161.207 flat angles C4'-P-C4' energy: -205.965 flat angles P-C4'-P energy: -125.989 tors. eta vs tors. theta energy: -258.715 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: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -3164.400435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.400435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.400435 (E_RNA) where: Base-Base interactions energy: -2289.174 where: short stacking energy: -880.355 Base-Backbone interact. energy: -0.085 local terms energy: -875.141669 where: bonds (distance) C4'-P energy: -151.713 bonds (distance) P-C4' energy: -157.618 flat angles C4'-P-C4' energy: -165.582 flat angles P-C4'-P energy: -144.141 tors. eta vs tors. theta energy: -256.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -2915.149175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.149175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.149175 (E_RNA) where: Base-Base interactions energy: -2144.480 where: short stacking energy: -832.917 Base-Backbone interact. energy: -2.111 local terms energy: -768.558164 where: bonds (distance) C4'-P energy: -124.437 bonds (distance) P-C4' energy: -124.182 flat angles C4'-P-C4' energy: -174.507 flat angles P-C4'-P energy: -118.022 tors. eta vs tors. theta energy: -227.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -2546.174253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.174253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.174253 (E_RNA) where: Base-Base interactions energy: -1825.389 where: short stacking energy: -724.814 Base-Backbone interact. energy: 4.347 local terms energy: -725.131476 where: bonds (distance) C4'-P energy: -120.163 bonds (distance) P-C4' energy: -142.981 flat angles C4'-P-C4' energy: -168.839 flat angles P-C4'-P energy: -117.363 tors. eta vs tors. theta energy: -175.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3838.495002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3838.495002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3838.495002 (E_RNA) where: Base-Base interactions energy: -2783.167 where: short stacking energy: -1086.288 Base-Backbone interact. energy: -2.586 local terms energy: -1052.742015 where: bonds (distance) C4'-P energy: -168.248 bonds (distance) P-C4' energy: -197.339 flat angles C4'-P-C4' energy: -226.861 flat angles P-C4'-P energy: -153.780 tors. eta vs tors. theta energy: -306.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -3753.069928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3753.069928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3753.069928 (E_RNA) where: Base-Base interactions energy: -2741.963 where: short stacking energy: -1051.462 Base-Backbone interact. energy: 0.358 local terms energy: -1011.465391 where: bonds (distance) C4'-P energy: -162.072 bonds (distance) P-C4' energy: -186.333 flat angles C4'-P-C4' energy: -214.394 flat angles P-C4'-P energy: -143.369 tors. eta vs tors. theta energy: -305.297 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: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -3603.784011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3603.784011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3603.784011 (E_RNA) where: Base-Base interactions energy: -2633.714 where: short stacking energy: -1011.415 Base-Backbone interact. energy: -4.159 local terms energy: -965.911189 where: bonds (distance) C4'-P energy: -177.244 bonds (distance) P-C4' energy: -163.762 flat angles C4'-P-C4' energy: -199.282 flat angles P-C4'-P energy: -137.761 tors. eta vs tors. theta energy: -287.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -3569.207321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3569.207321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3569.207321 (E_RNA) where: Base-Base interactions energy: -2571.076 where: short stacking energy: -1010.017 Base-Backbone interact. energy: 1.924 local terms energy: -1000.055970 where: bonds (distance) C4'-P energy: -160.760 bonds (distance) P-C4' energy: -182.964 flat angles C4'-P-C4' energy: -219.573 flat angles P-C4'-P energy: -136.250 tors. eta vs tors. theta energy: -300.508 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: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -3475.491417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3475.491417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3475.491417 (E_RNA) where: Base-Base interactions energy: -2549.370 where: short stacking energy: -1007.732 Base-Backbone interact. energy: -0.534 local terms energy: -925.586703 where: bonds (distance) C4'-P energy: -169.738 bonds (distance) P-C4' energy: -151.237 flat angles C4'-P-C4' energy: -204.187 flat angles P-C4'-P energy: -114.828 tors. eta vs tors. theta energy: -285.596 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: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -3428.156687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3428.156687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3428.156687 (E_RNA) where: Base-Base interactions energy: -2512.947 where: short stacking energy: -951.293 Base-Backbone interact. energy: -1.641 local terms energy: -913.568570 where: bonds (distance) C4'-P energy: -165.719 bonds (distance) P-C4' energy: -158.194 flat angles C4'-P-C4' energy: -192.755 flat angles P-C4'-P energy: -130.605 tors. eta vs tors. theta energy: -266.296 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: 9 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -3243.640119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.640119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.640119 (E_RNA) where: Base-Base interactions energy: -2365.096 where: short stacking energy: -923.930 Base-Backbone interact. energy: 1.709 local terms energy: -880.253794 where: bonds (distance) C4'-P energy: -153.979 bonds (distance) P-C4' energy: -167.132 flat angles C4'-P-C4' energy: -176.512 flat angles P-C4'-P energy: -113.872 tors. eta vs tors. theta energy: -268.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -3136.372677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.372677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.372677 (E_RNA) where: Base-Base interactions energy: -2276.446 where: short stacking energy: -858.859 Base-Backbone interact. energy: 2.633 local terms energy: -862.559434 where: bonds (distance) C4'-P energy: -138.738 bonds (distance) P-C4' energy: -166.192 flat angles C4'-P-C4' energy: -174.680 flat angles P-C4'-P energy: -114.511 tors. eta vs tors. theta energy: -268.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -2939.323964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.323964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.323964 (E_RNA) where: Base-Base interactions energy: -2060.591 where: short stacking energy: -798.506 Base-Backbone interact. energy: -3.870 local terms energy: -874.862215 where: bonds (distance) C4'-P energy: -170.181 bonds (distance) P-C4' energy: -153.810 flat angles C4'-P-C4' energy: -182.492 flat angles P-C4'-P energy: -133.328 tors. eta vs tors. theta energy: -235.052 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: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -2628.889701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.889701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.889701 (E_RNA) where: Base-Base interactions energy: -1877.434 where: short stacking energy: -714.165 Base-Backbone interact. energy: 2.286 local terms energy: -753.741576 where: bonds (distance) C4'-P energy: -128.125 bonds (distance) P-C4' energy: -140.777 flat angles C4'-P-C4' energy: -175.306 flat angles P-C4'-P energy: -124.927 tors. eta vs tors. theta energy: -184.607 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: 1 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3858.716406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3858.716406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3858.716406 (E_RNA) where: Base-Base interactions energy: -2809.013 where: short stacking energy: -1076.004 Base-Backbone interact. energy: -4.925 local terms energy: -1044.778425 where: bonds (distance) C4'-P energy: -170.055 bonds (distance) P-C4' energy: -194.301 flat angles C4'-P-C4' energy: -219.871 flat angles P-C4'-P energy: -151.426 tors. eta vs tors. theta energy: -309.126 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: 230 Temperature: 0.950000 Total energy: -3728.254614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3728.254614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3728.254614 (E_RNA) where: Base-Base interactions energy: -2718.431 where: short stacking energy: -1051.301 Base-Backbone interact. energy: -0.733 local terms energy: -1009.090515 where: bonds (distance) C4'-P energy: -174.640 bonds (distance) P-C4' energy: -177.536 flat angles C4'-P-C4' energy: -209.466 flat angles P-C4'-P energy: -146.732 tors. eta vs tors. theta energy: -300.717 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: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -3583.017544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3583.017544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3583.017544 (E_RNA) where: Base-Base interactions energy: -2600.073 where: short stacking energy: -1011.998 Base-Backbone interact. energy: -3.184 local terms energy: -979.760480 where: bonds (distance) C4'-P energy: -170.690 bonds (distance) P-C4' energy: -176.280 flat angles C4'-P-C4' energy: -201.908 flat angles P-C4'-P energy: -140.855 tors. eta vs tors. theta energy: -290.027 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: 230 Temperature: 1.050000 Total energy: -3566.362088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.362088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.362088 (E_RNA) where: Base-Base interactions energy: -2581.602 where: short stacking energy: -1033.411 Base-Backbone interact. energy: -2.184 local terms energy: -982.576480 where: bonds (distance) C4'-P energy: -180.185 bonds (distance) P-C4' energy: -169.281 flat angles C4'-P-C4' energy: -207.414 flat angles P-C4'-P energy: -126.540 tors. eta vs tors. theta energy: -299.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -3450.036171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.036171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.036171 (E_RNA) where: Base-Base interactions energy: -2493.221 where: short stacking energy: -977.343 Base-Backbone interact. energy: 0.722 local terms energy: -957.536686 where: bonds (distance) C4'-P energy: -161.469 bonds (distance) P-C4' energy: -172.830 flat angles C4'-P-C4' energy: -193.932 flat angles P-C4'-P energy: -139.238 tors. eta vs tors. theta energy: -290.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -3402.838734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3402.838734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3402.838734 (E_RNA) where: Base-Base interactions energy: -2513.025 where: short stacking energy: -976.765 Base-Backbone interact. energy: -0.574 local terms energy: -889.239291 where: bonds (distance) C4'-P energy: -134.361 bonds (distance) P-C4' energy: -170.377 flat angles C4'-P-C4' energy: -199.280 flat angles P-C4'-P energy: -120.573 tors. eta vs tors. theta energy: -264.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -3207.342416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.342416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.342416 (E_RNA) where: Base-Base interactions energy: -2329.897 where: short stacking energy: -909.048 Base-Backbone interact. energy: -3.307 local terms energy: -874.138589 where: bonds (distance) C4'-P energy: -156.856 bonds (distance) P-C4' energy: -157.632 flat angles C4'-P-C4' energy: -182.720 flat angles P-C4'-P energy: -112.362 tors. eta vs tors. theta energy: -264.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -3091.764331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.764331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.764331 (E_RNA) where: Base-Base interactions energy: -2230.468 where: short stacking energy: -869.893 Base-Backbone interact. energy: -0.991 local terms energy: -860.305574 where: bonds (distance) C4'-P energy: -145.579 bonds (distance) P-C4' energy: -151.409 flat angles C4'-P-C4' energy: -202.947 flat angles P-C4'-P energy: -110.389 tors. eta vs tors. theta energy: -249.980 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: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -2991.993240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.993240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.993240 (E_RNA) where: Base-Base interactions energy: -2183.846 where: short stacking energy: -870.777 Base-Backbone interact. energy: -1.629 local terms energy: -806.518459 where: bonds (distance) C4'-P energy: -139.260 bonds (distance) P-C4' energy: -146.184 flat angles C4'-P-C4' energy: -174.908 flat angles P-C4'-P energy: -109.788 tors. eta vs tors. theta energy: -236.379 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: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -2476.648593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.648593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.648593 (E_RNA) where: Base-Base interactions energy: -1775.991 where: short stacking energy: -691.750 Base-Backbone interact. energy: -2.809 local terms energy: -697.848115 where: bonds (distance) C4'-P energy: -112.985 bonds (distance) P-C4' energy: -149.632 flat angles C4'-P-C4' energy: -152.885 flat angles P-C4'-P energy: -96.350 tors. eta vs tors. theta energy: -185.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3883.961906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3883.961906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3883.961906 (E_RNA) where: Base-Base interactions energy: -2838.165 where: short stacking energy: -1094.397 Base-Backbone interact. energy: -3.460 local terms energy: -1042.337087 where: bonds (distance) C4'-P energy: -191.663 bonds (distance) P-C4' energy: -175.197 flat angles C4'-P-C4' energy: -207.718 flat angles P-C4'-P energy: -155.595 tors. eta vs tors. theta energy: -312.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -3766.258883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3766.258883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3766.258883 (E_RNA) where: Base-Base interactions energy: -2771.106 where: short stacking energy: -1086.819 Base-Backbone interact. energy: -2.706 local terms energy: -992.446557 where: bonds (distance) C4'-P energy: -155.696 bonds (distance) P-C4' energy: -175.358 flat angles C4'-P-C4' energy: -218.340 flat angles P-C4'-P energy: -129.786 tors. eta vs tors. theta energy: -313.266 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: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -3599.358749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3599.358749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3599.358749 (E_RNA) where: Base-Base interactions energy: -2611.599 where: short stacking energy: -1002.150 Base-Backbone interact. energy: -1.666 local terms energy: -986.093891 where: bonds (distance) C4'-P energy: -179.958 bonds (distance) P-C4' energy: -172.861 flat angles C4'-P-C4' energy: -216.226 flat angles P-C4'-P energy: -123.359 tors. eta vs tors. theta energy: -293.690 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: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -3485.901139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.901139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.901139 (E_RNA) where: Base-Base interactions energy: -2521.150 where: short stacking energy: -1012.918 Base-Backbone interact. energy: -2.956 local terms energy: -961.794741 where: bonds (distance) C4'-P energy: -178.309 bonds (distance) P-C4' energy: -167.869 flat angles C4'-P-C4' energy: -197.239 flat angles P-C4'-P energy: -126.376 tors. eta vs tors. theta energy: -292.003 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: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -3451.195312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3451.195312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3451.195312 (E_RNA) where: Base-Base interactions energy: -2478.940 where: short stacking energy: -981.692 Base-Backbone interact. energy: -0.273 local terms energy: -971.982586 where: bonds (distance) C4'-P energy: -150.905 bonds (distance) P-C4' energy: -174.604 flat angles C4'-P-C4' energy: -217.180 flat angles P-C4'-P energy: -138.338 tors. eta vs tors. theta energy: -290.956 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: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -3396.536959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.536959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.536959 (E_RNA) where: Base-Base interactions energy: -2482.006 where: short stacking energy: -926.518 Base-Backbone interact. energy: -1.088 local terms energy: -913.443547 where: bonds (distance) C4'-P energy: -156.259 bonds (distance) P-C4' energy: -163.012 flat angles C4'-P-C4' energy: -182.829 flat angles P-C4'-P energy: -142.542 tors. eta vs tors. theta energy: -268.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -3167.148484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.148484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.148484 (E_RNA) where: Base-Base interactions energy: -2307.914 where: short stacking energy: -894.557 Base-Backbone interact. energy: 3.972 local terms energy: -863.206373 where: bonds (distance) C4'-P energy: -166.073 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -181.767 flat angles P-C4'-P energy: -113.168 tors. eta vs tors. theta energy: -263.188 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: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -3126.724598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.724598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.724598 (E_RNA) where: Base-Base interactions energy: -2294.635 where: short stacking energy: -887.644 Base-Backbone interact. energy: -2.592 local terms energy: -829.496766 where: bonds (distance) C4'-P energy: -140.769 bonds (distance) P-C4' energy: -144.805 flat angles C4'-P-C4' energy: -181.206 flat angles P-C4'-P energy: -111.607 tors. eta vs tors. theta energy: -251.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -2903.576561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.576561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.576561 (E_RNA) where: Base-Base interactions energy: -2104.321 where: short stacking energy: -805.589 Base-Backbone interact. energy: 1.030 local terms energy: -800.286263 where: bonds (distance) C4'-P energy: -134.202 bonds (distance) P-C4' energy: -136.430 flat angles C4'-P-C4' energy: -180.644 flat angles P-C4'-P energy: -111.670 tors. eta vs tors. theta energy: -237.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -2478.596638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.596638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.596638 (E_RNA) where: Base-Base interactions energy: -1761.236 where: short stacking energy: -684.295 Base-Backbone interact. energy: 0.154 local terms energy: -717.514769 where: bonds (distance) C4'-P energy: -141.316 bonds (distance) P-C4' energy: -161.235 flat angles C4'-P-C4' energy: -154.417 flat angles P-C4'-P energy: -83.821 tors. eta vs tors. theta energy: -176.725 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: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3874.364575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3874.364575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3874.364575 (E_RNA) where: Base-Base interactions energy: -2831.553 where: short stacking energy: -1090.349 Base-Backbone interact. energy: -0.693 local terms energy: -1042.117899 where: bonds (distance) C4'-P energy: -168.441 bonds (distance) P-C4' energy: -180.681 flat angles C4'-P-C4' energy: -236.188 flat angles P-C4'-P energy: -148.091 tors. eta vs tors. theta energy: -308.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -3744.382726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3744.382726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3744.382726 (E_RNA) where: Base-Base interactions energy: -2723.410 where: short stacking energy: -1070.258 Base-Backbone interact. energy: 0.626 local terms energy: -1021.598316 where: bonds (distance) C4'-P energy: -178.735 bonds (distance) P-C4' energy: -185.527 flat angles C4'-P-C4' energy: -215.215 flat angles P-C4'-P energy: -138.270 tors. eta vs tors. theta energy: -303.851 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: 232 Temperature: 1.000000 Total energy: -3568.731309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.731309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.731309 (E_RNA) where: Base-Base interactions energy: -2573.234 where: short stacking energy: -979.285 Base-Backbone interact. energy: -0.703 local terms energy: -994.794315 where: bonds (distance) C4'-P energy: -165.126 bonds (distance) P-C4' energy: -186.554 flat angles C4'-P-C4' energy: -213.741 flat angles P-C4'-P energy: -142.801 tors. eta vs tors. theta energy: -286.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -3469.418959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.418959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.418959 (E_RNA) where: Base-Base interactions energy: -2537.775 where: short stacking energy: -1001.785 Base-Backbone interact. energy: 1.561 local terms energy: -933.205059 where: bonds (distance) C4'-P energy: -169.729 bonds (distance) P-C4' energy: -155.642 flat angles C4'-P-C4' energy: -193.990 flat angles P-C4'-P energy: -127.968 tors. eta vs tors. theta energy: -285.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -3452.491649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3452.491649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3452.491649 (E_RNA) where: Base-Base interactions energy: -2507.866 where: short stacking energy: -960.270 Base-Backbone interact. energy: -1.097 local terms energy: -943.528783 where: bonds (distance) C4'-P energy: -156.015 bonds (distance) P-C4' energy: -155.325 flat angles C4'-P-C4' energy: -206.162 flat angles P-C4'-P energy: -141.348 tors. eta vs tors. theta energy: -284.679 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: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -3399.828342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3399.828342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3399.828342 (E_RNA) where: Base-Base interactions energy: -2517.556 where: short stacking energy: -969.637 Base-Backbone interact. energy: -3.219 local terms energy: -879.053481 where: bonds (distance) C4'-P energy: -151.984 bonds (distance) P-C4' energy: -147.550 flat angles C4'-P-C4' energy: -190.202 flat angles P-C4'-P energy: -119.690 tors. eta vs tors. theta energy: -269.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -3230.766386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.766386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.766386 (E_RNA) where: Base-Base interactions energy: -2318.812 where: short stacking energy: -907.393 Base-Backbone interact. energy: 1.467 local terms energy: -913.421692 where: bonds (distance) C4'-P energy: -165.622 bonds (distance) P-C4' energy: -153.821 flat angles C4'-P-C4' energy: -186.471 flat angles P-C4'-P energy: -132.073 tors. eta vs tors. theta energy: -275.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -3089.419451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.419451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.419451 (E_RNA) where: Base-Base interactions energy: -2255.641 where: short stacking energy: -871.446 Base-Backbone interact. energy: -0.655 local terms energy: -833.123549 where: bonds (distance) C4'-P energy: -142.670 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -199.663 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -235.024 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: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -2880.011005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.011005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.011005 (E_RNA) where: Base-Base interactions energy: -2084.546 where: short stacking energy: -797.333 Base-Backbone interact. energy: -2.619 local terms energy: -792.845483 where: bonds (distance) C4'-P energy: -130.598 bonds (distance) P-C4' energy: -159.947 flat angles C4'-P-C4' energy: -157.955 flat angles P-C4'-P energy: -109.271 tors. eta vs tors. theta energy: -235.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -2427.381104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.381104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.381104 (E_RNA) where: Base-Base interactions energy: -1716.649 where: short stacking energy: -683.772 Base-Backbone interact. energy: 1.145 local terms energy: -711.876789 where: bonds (distance) C4'-P energy: -136.716 bonds (distance) P-C4' energy: -136.120 flat angles C4'-P-C4' energy: -156.490 flat angles P-C4'-P energy: -110.440 tors. eta vs tors. theta energy: -172.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3837.621987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3837.621987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3837.621987 (E_RNA) where: Base-Base interactions energy: -2798.590 where: short stacking energy: -1076.178 Base-Backbone interact. energy: -3.921 local terms energy: -1035.110715 where: bonds (distance) C4'-P energy: -171.074 bonds (distance) P-C4' energy: -180.934 flat angles C4'-P-C4' energy: -217.441 flat angles P-C4'-P energy: -153.771 tors. eta vs tors. theta energy: -311.890 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: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -3768.391840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3768.391840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3768.391840 (E_RNA) where: Base-Base interactions energy: -2733.786 where: short stacking energy: -1071.395 Base-Backbone interact. energy: -1.429 local terms energy: -1033.176455 where: bonds (distance) C4'-P energy: -178.765 bonds (distance) P-C4' energy: -173.822 flat angles C4'-P-C4' energy: -224.460 flat angles P-C4'-P energy: -143.023 tors. eta vs tors. theta energy: -313.105 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: 233 Temperature: 1.000000 Total energy: -3607.402264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.402264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.402264 (E_RNA) where: Base-Base interactions energy: -2596.680 where: short stacking energy: -1006.740 Base-Backbone interact. energy: -3.473 local terms energy: -1007.249172 where: bonds (distance) C4'-P energy: -172.310 bonds (distance) P-C4' energy: -175.162 flat angles C4'-P-C4' energy: -212.750 flat angles P-C4'-P energy: -150.863 tors. eta vs tors. theta energy: -296.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -3522.662593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3522.662593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3522.662593 (E_RNA) where: Base-Base interactions energy: -2560.637 where: short stacking energy: -1000.334 Base-Backbone interact. energy: 0.868 local terms energy: -962.893223 where: bonds (distance) C4'-P energy: -157.282 bonds (distance) P-C4' energy: -170.256 flat angles C4'-P-C4' energy: -210.863 flat angles P-C4'-P energy: -143.128 tors. eta vs tors. theta energy: -281.365 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: 233 Temperature: 1.100000 Total energy: -3448.535824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.535824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.535824 (E_RNA) where: Base-Base interactions energy: -2498.406 where: short stacking energy: -942.256 Base-Backbone interact. energy: -0.922 local terms energy: -949.207870 where: bonds (distance) C4'-P energy: -163.000 bonds (distance) P-C4' energy: -172.831 flat angles C4'-P-C4' energy: -199.689 flat angles P-C4'-P energy: -135.474 tors. eta vs tors. theta energy: -278.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -3410.841242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3410.841242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3410.841242 (E_RNA) where: Base-Base interactions energy: -2508.343 where: short stacking energy: -945.459 Base-Backbone interact. energy: -3.722 local terms energy: -898.776281 where: bonds (distance) C4'-P energy: -159.429 bonds (distance) P-C4' energy: -151.391 flat angles C4'-P-C4' energy: -195.455 flat angles P-C4'-P energy: -123.908 tors. eta vs tors. theta energy: -268.593 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: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -3193.063730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.063730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.063730 (E_RNA) where: Base-Base interactions energy: -2317.823 where: short stacking energy: -913.537 Base-Backbone interact. energy: 2.656 local terms energy: -877.895906 where: bonds (distance) C4'-P energy: -153.227 bonds (distance) P-C4' energy: -146.957 flat angles C4'-P-C4' energy: -187.227 flat angles P-C4'-P energy: -129.815 tors. eta vs tors. theta energy: -260.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -3152.414526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.414526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.414526 (E_RNA) where: Base-Base interactions energy: -2286.589 where: short stacking energy: -883.078 Base-Backbone interact. energy: 0.511 local terms energy: -866.336593 where: bonds (distance) C4'-P energy: -137.823 bonds (distance) P-C4' energy: -162.414 flat angles C4'-P-C4' energy: -187.819 flat angles P-C4'-P energy: -126.624 tors. eta vs tors. theta energy: -251.656 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: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -2964.285101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.285101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.285101 (E_RNA) where: Base-Base interactions energy: -2139.271 where: short stacking energy: -844.345 Base-Backbone interact. energy: 7.208 local terms energy: -832.222435 where: bonds (distance) C4'-P energy: -140.099 bonds (distance) P-C4' energy: -127.499 flat angles C4'-P-C4' energy: -192.649 flat angles P-C4'-P energy: -121.125 tors. eta vs tors. theta energy: -250.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -2430.178773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.178773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.178773 (E_RNA) where: Base-Base interactions energy: -1695.495 where: short stacking energy: -677.932 Base-Backbone interact. energy: 3.908 local terms energy: -738.591769 where: bonds (distance) C4'-P energy: -149.378 bonds (distance) P-C4' energy: -128.610 flat angles C4'-P-C4' energy: -177.685 flat angles P-C4'-P energy: -106.887 tors. eta vs tors. theta energy: -176.032 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: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3840.485370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3840.485370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3840.485370 (E_RNA) where: Base-Base interactions energy: -2779.547 where: short stacking energy: -1061.764 Base-Backbone interact. energy: -1.678 local terms energy: -1059.259880 where: bonds (distance) C4'-P energy: -179.268 bonds (distance) P-C4' energy: -189.611 flat angles C4'-P-C4' energy: -228.964 flat angles P-C4'-P energy: -156.188 tors. eta vs tors. theta energy: -305.229 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: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -3742.591805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3742.591805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3742.591805 (E_RNA) where: Base-Base interactions energy: -2721.846 where: short stacking energy: -1070.933 Base-Backbone interact. energy: -0.653 local terms energy: -1020.092160 where: bonds (distance) C4'-P energy: -187.048 bonds (distance) P-C4' energy: -172.419 flat angles C4'-P-C4' energy: -219.395 flat angles P-C4'-P energy: -141.330 tors. eta vs tors. theta energy: -299.899 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: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -3604.066643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.066643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3604.066643 (E_RNA) where: Base-Base interactions energy: -2610.251 where: short stacking energy: -1031.022 Base-Backbone interact. energy: -3.827 local terms energy: -989.988495 where: bonds (distance) C4'-P energy: -177.058 bonds (distance) P-C4' energy: -166.436 flat angles C4'-P-C4' energy: -221.507 flat angles P-C4'-P energy: -127.104 tors. eta vs tors. theta energy: -297.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -3504.633319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3504.633319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3504.633319 (E_RNA) where: Base-Base interactions energy: -2538.751 where: short stacking energy: -1005.422 Base-Backbone interact. energy: 2.297 local terms energy: -968.179839 where: bonds (distance) C4'-P energy: -151.860 bonds (distance) P-C4' energy: -183.816 flat angles C4'-P-C4' energy: -203.303 flat angles P-C4'-P energy: -135.730 tors. eta vs tors. theta energy: -293.471 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: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -3473.364043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.364043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.364043 (E_RNA) where: Base-Base interactions energy: -2514.384 where: short stacking energy: -980.900 Base-Backbone interact. energy: -1.242 local terms energy: -957.737766 where: bonds (distance) C4'-P energy: -157.266 bonds (distance) P-C4' energy: -164.459 flat angles C4'-P-C4' energy: -210.924 flat angles P-C4'-P energy: -140.402 tors. eta vs tors. theta energy: -284.687 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: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -3401.927562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3401.927562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3401.927562 (E_RNA) where: Base-Base interactions energy: -2519.437 where: short stacking energy: -980.759 Base-Backbone interact. energy: 0.541 local terms energy: -883.031780 where: bonds (distance) C4'-P energy: -141.212 bonds (distance) P-C4' energy: -167.124 flat angles C4'-P-C4' energy: -184.261 flat angles P-C4'-P energy: -105.829 tors. eta vs tors. theta energy: -284.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -3213.614810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.614810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.614810 (E_RNA) where: Base-Base interactions energy: -2362.789 where: short stacking energy: -911.345 Base-Backbone interact. energy: -2.297 local terms energy: -848.528891 where: bonds (distance) C4'-P energy: -136.098 bonds (distance) P-C4' energy: -154.830 flat angles C4'-P-C4' energy: -192.482 flat angles P-C4'-P energy: -115.553 tors. eta vs tors. theta energy: -249.566 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: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -3139.986354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.986354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.986354 (E_RNA) where: Base-Base interactions energy: -2250.795 where: short stacking energy: -879.323 Base-Backbone interact. energy: 1.722 local terms energy: -890.913008 where: bonds (distance) C4'-P energy: -156.843 bonds (distance) P-C4' energy: -155.031 flat angles C4'-P-C4' energy: -180.187 flat angles P-C4'-P energy: -143.687 tors. eta vs tors. theta energy: -255.166 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: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -2951.394632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.394632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.394632 (E_RNA) where: Base-Base interactions energy: -2132.847 where: short stacking energy: -835.468 Base-Backbone interact. energy: 1.068 local terms energy: -819.615950 where: bonds (distance) C4'-P energy: -143.871 bonds (distance) P-C4' energy: -153.488 flat angles C4'-P-C4' energy: -165.073 flat angles P-C4'-P energy: -106.466 tors. eta vs tors. theta energy: -250.718 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: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -2383.120625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.120625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.120625 (E_RNA) where: Base-Base interactions energy: -1625.028 where: short stacking energy: -660.085 Base-Backbone interact. energy: -0.047 local terms energy: -758.045792 where: bonds (distance) C4'-P energy: -166.793 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -164.647 flat angles P-C4'-P energy: -102.991 tors. eta vs tors. theta energy: -161.556 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: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3843.895165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3843.895165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3843.895165 (E_RNA) where: Base-Base interactions energy: -2779.859 where: short stacking energy: -1078.290 Base-Backbone interact. energy: -3.232 local terms energy: -1060.803771 where: bonds (distance) C4'-P energy: -186.372 bonds (distance) P-C4' energy: -186.880 flat angles C4'-P-C4' energy: -225.975 flat angles P-C4'-P energy: -144.254 tors. eta vs tors. theta energy: -317.324 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: 235 Temperature: 0.950000 Total energy: -3737.514222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3737.514222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3737.514222 (E_RNA) where: Base-Base interactions energy: -2706.825 where: short stacking energy: -1034.600 Base-Backbone interact. energy: 0.678 local terms energy: -1031.367639 where: bonds (distance) C4'-P energy: -181.718 bonds (distance) P-C4' energy: -186.358 flat angles C4'-P-C4' energy: -218.559 flat angles P-C4'-P energy: -136.576 tors. eta vs tors. theta energy: -308.157 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: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -3584.501184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3584.501184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3584.501184 (E_RNA) where: Base-Base interactions energy: -2566.031 where: short stacking energy: -995.383 Base-Backbone interact. energy: -2.024 local terms energy: -1016.446226 where: bonds (distance) C4'-P energy: -177.304 bonds (distance) P-C4' energy: -189.151 flat angles C4'-P-C4' energy: -215.995 flat angles P-C4'-P energy: -140.634 tors. eta vs tors. theta energy: -293.362 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: 4, replica: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -3497.659319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3497.659319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3497.659319 (E_RNA) where: Base-Base interactions energy: -2531.293 where: short stacking energy: -989.269 Base-Backbone interact. energy: -3.752 local terms energy: -962.614661 where: bonds (distance) C4'-P energy: -164.068 bonds (distance) P-C4' energy: -168.210 flat angles C4'-P-C4' energy: -208.968 flat angles P-C4'-P energy: -139.100 tors. eta vs tors. theta energy: -282.268 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: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -3479.759890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.759890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.759890 (E_RNA) where: Base-Base interactions energy: -2529.993 where: short stacking energy: -994.308 Base-Backbone interact. energy: -1.197 local terms energy: -948.569691 where: bonds (distance) C4'-P energy: -152.454 bonds (distance) P-C4' energy: -159.690 flat angles C4'-P-C4' energy: -215.113 flat angles P-C4'-P energy: -134.170 tors. eta vs tors. theta energy: -287.143 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: 10 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -3368.241545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.241545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.241545 (E_RNA) where: Base-Base interactions energy: -2482.345 where: short stacking energy: -953.690 Base-Backbone interact. energy: -3.303 local terms energy: -882.593627 where: bonds (distance) C4'-P energy: -140.854 bonds (distance) P-C4' energy: -151.203 flat angles C4'-P-C4' energy: -196.265 flat angles P-C4'-P energy: -118.835 tors. eta vs tors. theta energy: -275.437 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: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -3202.160460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.160460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.160460 (E_RNA) where: Base-Base interactions energy: -2290.537 where: short stacking energy: -904.988 Base-Backbone interact. energy: -1.009 local terms energy: -910.614619 where: bonds (distance) C4'-P energy: -158.775 bonds (distance) P-C4' energy: -143.340 flat angles C4'-P-C4' energy: -200.235 flat angles P-C4'-P energy: -138.695 tors. eta vs tors. theta energy: -269.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -3088.839073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.839073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.839073 (E_RNA) where: Base-Base interactions energy: -2253.516 where: short stacking energy: -882.323 Base-Backbone interact. energy: -1.238 local terms energy: -834.085082 where: bonds (distance) C4'-P energy: -133.850 bonds (distance) P-C4' energy: -141.030 flat angles C4'-P-C4' energy: -178.412 flat angles P-C4'-P energy: -128.349 tors. eta vs tors. theta energy: -252.445 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: 235 Temperature: 1.300000 Total energy: -2996.966932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.966932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.966932 (E_RNA) where: Base-Base interactions energy: -2151.943 where: short stacking energy: -830.311 Base-Backbone interact. energy: -1.565 local terms energy: -843.459589 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -157.034 flat angles C4'-P-C4' energy: -168.072 flat angles P-C4'-P energy: -129.676 tors. eta vs tors. theta energy: -254.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -2394.889672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.889672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.889672 (E_RNA) where: Base-Base interactions energy: -1703.090 where: short stacking energy: -686.987 Base-Backbone interact. energy: 5.729 local terms energy: -697.527999 where: bonds (distance) C4'-P energy: -119.112 bonds (distance) P-C4' energy: -135.327 flat angles C4'-P-C4' energy: -169.195 flat angles P-C4'-P energy: -99.216 tors. eta vs tors. theta energy: -174.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3848.958040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3848.958040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3848.958040 (E_RNA) where: Base-Base interactions energy: -2801.202 where: short stacking energy: -1083.430 Base-Backbone interact. energy: -2.828 local terms energy: -1044.928459 where: bonds (distance) C4'-P energy: -179.491 bonds (distance) P-C4' energy: -185.197 flat angles C4'-P-C4' energy: -225.629 flat angles P-C4'-P energy: -141.535 tors. eta vs tors. theta energy: -313.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -3732.217166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3732.217166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3732.217166 (E_RNA) where: Base-Base interactions energy: -2695.102 where: short stacking energy: -1044.401 Base-Backbone interact. energy: -2.735 local terms energy: -1034.380365 where: bonds (distance) C4'-P energy: -168.167 bonds (distance) P-C4' energy: -183.184 flat angles C4'-P-C4' energy: -228.415 flat angles P-C4'-P energy: -153.311 tors. eta vs tors. theta energy: -301.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -3641.092288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3641.092288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3641.092288 (E_RNA) where: Base-Base interactions energy: -2629.643 where: short stacking energy: -1023.414 Base-Backbone interact. energy: -0.894 local terms energy: -1010.555680 where: bonds (distance) C4'-P energy: -175.421 bonds (distance) P-C4' energy: -187.372 flat angles C4'-P-C4' energy: -219.921 flat angles P-C4'-P energy: -141.335 tors. eta vs tors. theta energy: -286.506 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: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -3488.528606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.528606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.528606 (E_RNA) where: Base-Base interactions energy: -2523.134 where: short stacking energy: -988.692 Base-Backbone interact. energy: -1.888 local terms energy: -963.506927 where: bonds (distance) C4'-P energy: -158.157 bonds (distance) P-C4' energy: -165.800 flat angles C4'-P-C4' energy: -209.010 flat angles P-C4'-P energy: -138.782 tors. eta vs tors. theta energy: -291.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -3480.242311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3480.242311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3480.242311 (E_RNA) where: Base-Base interactions energy: -2518.752 where: short stacking energy: -994.102 Base-Backbone interact. energy: -3.906 local terms energy: -957.584548 where: bonds (distance) C4'-P energy: -162.848 bonds (distance) P-C4' energy: -165.716 flat angles C4'-P-C4' energy: -207.345 flat angles P-C4'-P energy: -126.417 tors. eta vs tors. theta energy: -295.259 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: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -3411.189991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3411.189991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3411.189991 (E_RNA) where: Base-Base interactions energy: -2495.283 where: short stacking energy: -959.601 Base-Backbone interact. energy: -3.049 local terms energy: -912.857887 where: bonds (distance) C4'-P energy: -160.882 bonds (distance) P-C4' energy: -165.927 flat angles C4'-P-C4' energy: -184.500 flat angles P-C4'-P energy: -118.229 tors. eta vs tors. theta energy: -283.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -3197.651026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.651026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.651026 (E_RNA) where: Base-Base interactions energy: -2323.845 where: short stacking energy: -935.026 Base-Backbone interact. energy: 2.835 local terms energy: -876.640532 where: bonds (distance) C4'-P energy: -149.635 bonds (distance) P-C4' energy: -135.345 flat angles C4'-P-C4' energy: -196.515 flat angles P-C4'-P energy: -124.554 tors. eta vs tors. theta energy: -270.593 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: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -2983.092874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.092874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.092874 (E_RNA) where: Base-Base interactions energy: -2146.055 where: short stacking energy: -826.499 Base-Backbone interact. energy: 0.006 local terms energy: -837.043372 where: bonds (distance) C4'-P energy: -141.923 bonds (distance) P-C4' energy: -152.872 flat angles C4'-P-C4' energy: -164.653 flat angles P-C4'-P energy: -137.041 tors. eta vs tors. theta energy: -240.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -2941.957258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.957258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.957258 (E_RNA) where: Base-Base interactions energy: -2105.123 where: short stacking energy: -836.814 Base-Backbone interact. energy: -0.318 local terms energy: -836.515836 where: bonds (distance) C4'-P energy: -137.663 bonds (distance) P-C4' energy: -150.087 flat angles C4'-P-C4' energy: -172.576 flat angles P-C4'-P energy: -118.611 tors. eta vs tors. theta energy: -257.579 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: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -2465.760544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.760544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.760544 (E_RNA) where: Base-Base interactions energy: -1750.178 where: short stacking energy: -676.574 Base-Backbone interact. energy: -2.421 local terms energy: -713.161655 where: bonds (distance) C4'-P energy: -122.885 bonds (distance) P-C4' energy: -143.883 flat angles C4'-P-C4' energy: -173.139 flat angles P-C4'-P energy: -93.022 tors. eta vs tors. theta energy: -180.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3818.110197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3818.110197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3818.110197 (E_RNA) where: Base-Base interactions energy: -2763.049 where: short stacking energy: -1048.783 Base-Backbone interact. energy: 3.680 local terms energy: -1058.741620 where: bonds (distance) C4'-P energy: -171.483 bonds (distance) P-C4' energy: -200.673 flat angles C4'-P-C4' energy: -221.409 flat angles P-C4'-P energy: -152.395 tors. eta vs tors. theta energy: -312.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -3760.329463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3760.329463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3760.329463 (E_RNA) where: Base-Base interactions energy: -2741.864 where: short stacking energy: -1053.135 Base-Backbone interact. energy: -0.838 local terms energy: -1017.627427 where: bonds (distance) C4'-P energy: -180.175 bonds (distance) P-C4' energy: -166.167 flat angles C4'-P-C4' energy: -219.736 flat angles P-C4'-P energy: -144.916 tors. eta vs tors. theta energy: -306.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -3577.256556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3577.256556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3577.256556 (E_RNA) where: Base-Base interactions energy: -2603.456 where: short stacking energy: -1013.443 Base-Backbone interact. energy: -2.233 local terms energy: -971.567840 where: bonds (distance) C4'-P energy: -175.793 bonds (distance) P-C4' energy: -175.758 flat angles C4'-P-C4' energy: -210.022 flat angles P-C4'-P energy: -130.107 tors. eta vs tors. theta energy: -279.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -3528.329065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3528.329065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3528.329065 (E_RNA) where: Base-Base interactions energy: -2568.876 where: short stacking energy: -1010.796 Base-Backbone interact. energy: -3.712 local terms energy: -955.741697 where: bonds (distance) C4'-P energy: -165.802 bonds (distance) P-C4' energy: -143.997 flat angles C4'-P-C4' energy: -213.275 flat angles P-C4'-P energy: -134.891 tors. eta vs tors. theta energy: -297.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -3519.046849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3519.046849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3519.046849 (E_RNA) where: Base-Base interactions energy: -2546.259 where: short stacking energy: -1007.097 Base-Backbone interact. energy: -0.863 local terms energy: -971.924696 where: bonds (distance) C4'-P energy: -169.253 bonds (distance) P-C4' energy: -158.622 flat angles C4'-P-C4' energy: -206.850 flat angles P-C4'-P energy: -128.073 tors. eta vs tors. theta energy: -309.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -3384.863175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3384.863175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3384.863175 (E_RNA) where: Base-Base interactions energy: -2525.155 where: short stacking energy: -977.057 Base-Backbone interact. energy: 1.153 local terms energy: -860.861674 where: bonds (distance) C4'-P energy: -140.605 bonds (distance) P-C4' energy: -139.625 flat angles C4'-P-C4' energy: -189.952 flat angles P-C4'-P energy: -113.670 tors. eta vs tors. theta energy: -277.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -3196.300237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.300237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.300237 (E_RNA) where: Base-Base interactions energy: -2301.045 where: short stacking energy: -912.369 Base-Backbone interact. energy: -0.226 local terms energy: -895.028782 where: bonds (distance) C4'-P energy: -154.036 bonds (distance) P-C4' energy: -164.173 flat angles C4'-P-C4' energy: -188.394 flat angles P-C4'-P energy: -124.802 tors. eta vs tors. theta energy: -263.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -2981.716728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.716728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.716728 (E_RNA) where: Base-Base interactions energy: -2157.751 where: short stacking energy: -845.828 Base-Backbone interact. energy: 2.693 local terms energy: -826.659501 where: bonds (distance) C4'-P energy: -141.204 bonds (distance) P-C4' energy: -142.677 flat angles C4'-P-C4' energy: -171.800 flat angles P-C4'-P energy: -127.380 tors. eta vs tors. theta energy: -243.598 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: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -2942.119821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.119821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.119821 (E_RNA) where: Base-Base interactions energy: -2156.900 where: short stacking energy: -839.638 Base-Backbone interact. energy: 0.088 local terms energy: -785.307213 where: bonds (distance) C4'-P energy: -131.301 bonds (distance) P-C4' energy: -136.333 flat angles C4'-P-C4' energy: -171.562 flat angles P-C4'-P energy: -102.993 tors. eta vs tors. theta energy: -243.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -2461.144846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.144846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.144846 (E_RNA) where: Base-Base interactions energy: -1726.259 where: short stacking energy: -671.056 Base-Backbone interact. energy: -1.078 local terms energy: -733.807605 where: bonds (distance) C4'-P energy: -153.650 bonds (distance) P-C4' energy: -132.602 flat angles C4'-P-C4' energy: -176.888 flat angles P-C4'-P energy: -95.248 tors. eta vs tors. theta energy: -175.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3873.587294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3873.587294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3873.587294 (E_RNA) where: Base-Base interactions energy: -2813.334 where: short stacking energy: -1087.126 Base-Backbone interact. energy: -0.436 local terms energy: -1059.817046 where: bonds (distance) C4'-P energy: -185.093 bonds (distance) P-C4' energy: -172.899 flat angles C4'-P-C4' energy: -228.864 flat angles P-C4'-P energy: -154.843 tors. eta vs tors. theta energy: -318.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -3743.734752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3743.734752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3743.734752 (E_RNA) where: Base-Base interactions energy: -2712.528 where: short stacking energy: -1041.062 Base-Backbone interact. energy: -0.623 local terms energy: -1030.584545 where: bonds (distance) C4'-P energy: -168.282 bonds (distance) P-C4' energy: -187.772 flat angles C4'-P-C4' energy: -218.634 flat angles P-C4'-P energy: -153.585 tors. eta vs tors. theta energy: -302.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -3580.732762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3580.732762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3580.732762 (E_RNA) where: Base-Base interactions energy: -2585.544 where: short stacking energy: -1032.205 Base-Backbone interact. energy: -1.129 local terms energy: -994.059730 where: bonds (distance) C4'-P energy: -164.109 bonds (distance) P-C4' energy: -177.870 flat angles C4'-P-C4' energy: -214.576 flat angles P-C4'-P energy: -139.882 tors. eta vs tors. theta energy: -297.623 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: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -3534.375381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3534.375381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3534.375381 (E_RNA) where: Base-Base interactions energy: -2564.606 where: short stacking energy: -986.542 Base-Backbone interact. energy: 0.103 local terms energy: -969.872719 where: bonds (distance) C4'-P energy: -168.348 bonds (distance) P-C4' energy: -181.838 flat angles C4'-P-C4' energy: -200.029 flat angles P-C4'-P energy: -134.895 tors. eta vs tors. theta energy: -284.763 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -3498.563012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3498.563012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3498.563012 (E_RNA) where: Base-Base interactions energy: -2552.897 where: short stacking energy: -997.130 Base-Backbone interact. energy: -1.461 local terms energy: -944.205093 where: bonds (distance) C4'-P energy: -144.906 bonds (distance) P-C4' energy: -161.798 flat angles C4'-P-C4' energy: -199.446 flat angles P-C4'-P energy: -147.512 tors. eta vs tors. theta energy: -290.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -3398.821454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3398.821454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3398.821454 (E_RNA) where: Base-Base interactions energy: -2466.855 where: short stacking energy: -955.217 Base-Backbone interact. energy: -0.636 local terms energy: -931.330676 where: bonds (distance) C4'-P energy: -154.709 bonds (distance) P-C4' energy: -160.392 flat angles C4'-P-C4' energy: -202.899 flat angles P-C4'-P energy: -144.667 tors. eta vs tors. theta energy: -268.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -3190.764906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.764906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.764906 (E_RNA) where: Base-Base interactions energy: -2334.575 where: short stacking energy: -911.754 Base-Backbone interact. energy: -1.802 local terms energy: -854.388287 where: bonds (distance) C4'-P energy: -148.651 bonds (distance) P-C4' energy: -151.427 flat angles C4'-P-C4' energy: -188.033 flat angles P-C4'-P energy: -101.841 tors. eta vs tors. theta energy: -264.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -2939.170241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.170241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.170241 (E_RNA) where: Base-Base interactions energy: -2153.952 where: short stacking energy: -844.412 Base-Backbone interact. energy: 0.759 local terms energy: -785.977807 where: bonds (distance) C4'-P energy: -127.355 bonds (distance) P-C4' energy: -146.552 flat angles C4'-P-C4' energy: -178.295 flat angles P-C4'-P energy: -103.654 tors. eta vs tors. theta energy: -230.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -2976.551144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.551144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.551144 (E_RNA) where: Base-Base interactions energy: -2178.288 where: short stacking energy: -839.715 Base-Backbone interact. energy: 2.986 local terms energy: -801.249252 where: bonds (distance) C4'-P energy: -139.877 bonds (distance) P-C4' energy: -136.130 flat angles C4'-P-C4' energy: -173.617 flat angles P-C4'-P energy: -104.434 tors. eta vs tors. theta energy: -247.191 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: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -2352.227030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.227030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.227030 (E_RNA) where: Base-Base interactions energy: -1640.780 where: short stacking energy: -684.956 Base-Backbone interact. energy: 3.287 local terms energy: -714.734469 where: bonds (distance) C4'-P energy: -163.777 bonds (distance) P-C4' energy: -134.531 flat angles C4'-P-C4' energy: -160.202 flat angles P-C4'-P energy: -82.538 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: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3845.581021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3845.581021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3845.581021 (E_RNA) where: Base-Base interactions energy: -2808.054 where: short stacking energy: -1079.363 Base-Backbone interact. energy: -2.247 local terms energy: -1035.280139 where: bonds (distance) C4'-P energy: -165.997 bonds (distance) P-C4' energy: -193.794 flat angles C4'-P-C4' energy: -224.670 flat angles P-C4'-P energy: -136.188 tors. eta vs tors. theta energy: -314.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -3788.671952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3788.671952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3788.671952 (E_RNA) where: Base-Base interactions energy: -2726.059 where: short stacking energy: -1058.519 Base-Backbone interact. energy: -2.268 local terms energy: -1060.345313 where: bonds (distance) C4'-P energy: -186.161 bonds (distance) P-C4' energy: -191.573 flat angles C4'-P-C4' energy: -225.078 flat angles P-C4'-P energy: -146.911 tors. eta vs tors. theta energy: -310.622 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: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -3618.893363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3618.893363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3618.893363 (E_RNA) where: Base-Base interactions energy: -2616.346 where: short stacking energy: -1024.246 Base-Backbone interact. energy: -1.283 local terms energy: -1001.263547 where: bonds (distance) C4'-P energy: -183.948 bonds (distance) P-C4' energy: -170.641 flat angles C4'-P-C4' energy: -204.309 flat angles P-C4'-P energy: -145.937 tors. eta vs tors. theta energy: -296.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -3508.243220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3508.243220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3508.243220 (E_RNA) where: Base-Base interactions energy: -2578.871 where: short stacking energy: -979.814 Base-Backbone interact. energy: -1.847 local terms energy: -927.524881 where: bonds (distance) C4'-P energy: -156.752 bonds (distance) P-C4' energy: -162.669 flat angles C4'-P-C4' energy: -202.151 flat angles P-C4'-P energy: -135.519 tors. eta vs tors. theta energy: -270.434 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: 239 Temperature: 1.100000 Total energy: -3487.912229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.912229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.912229 (E_RNA) where: Base-Base interactions energy: -2548.936 where: short stacking energy: -977.332 Base-Backbone interact. energy: -0.670 local terms energy: -938.305653 where: bonds (distance) C4'-P energy: -163.890 bonds (distance) P-C4' energy: -163.538 flat angles C4'-P-C4' energy: -200.634 flat angles P-C4'-P energy: -116.107 tors. eta vs tors. theta energy: -294.136 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: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -3427.680160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3427.680160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3427.680160 (E_RNA) where: Base-Base interactions energy: -2529.376 where: short stacking energy: -979.011 Base-Backbone interact. energy: 3.937 local terms energy: -902.241986 where: bonds (distance) C4'-P energy: -151.624 bonds (distance) P-C4' energy: -144.708 flat angles C4'-P-C4' energy: -184.295 flat angles P-C4'-P energy: -135.777 tors. eta vs tors. theta energy: -285.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -3172.610997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.610997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.610997 (E_RNA) where: Base-Base interactions energy: -2257.484 where: short stacking energy: -875.331 Base-Backbone interact. energy: 1.081 local terms energy: -916.208499 where: bonds (distance) C4'-P energy: -171.485 bonds (distance) P-C4' energy: -176.638 flat angles C4'-P-C4' energy: -186.981 flat angles P-C4'-P energy: -128.008 tors. eta vs tors. theta energy: -253.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -3042.687411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.687411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.687411 (E_RNA) where: Base-Base interactions energy: -2205.109 where: short stacking energy: -847.770 Base-Backbone interact. energy: -1.702 local terms energy: -835.875710 where: bonds (distance) C4'-P energy: -154.533 bonds (distance) P-C4' energy: -150.876 flat angles C4'-P-C4' energy: -165.312 flat angles P-C4'-P energy: -126.082 tors. eta vs tors. theta energy: -239.074 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: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -3015.544532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.544532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.544532 (E_RNA) where: Base-Base interactions energy: -2174.925 where: short stacking energy: -820.703 Base-Backbone interact. energy: -4.466 local terms energy: -836.153766 where: bonds (distance) C4'-P energy: -153.978 bonds (distance) P-C4' energy: -145.590 flat angles C4'-P-C4' energy: -183.413 flat angles P-C4'-P energy: -111.849 tors. eta vs tors. theta energy: -241.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -2368.199598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.199598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.199598 (E_RNA) where: Base-Base interactions energy: -1629.266 where: short stacking energy: -634.587 Base-Backbone interact. energy: -1.839 local terms energy: -737.094802 where: bonds (distance) C4'-P energy: -155.683 bonds (distance) P-C4' energy: -137.474 flat angles C4'-P-C4' energy: -173.729 flat angles P-C4'-P energy: -122.142 tors. eta vs tors. theta energy: -148.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3866.999196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3866.999196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3866.999196 (E_RNA) where: Base-Base interactions energy: -2808.907 where: short stacking energy: -1063.504 Base-Backbone interact. energy: -4.102 local terms energy: -1053.989923 where: bonds (distance) C4'-P energy: -195.447 bonds (distance) P-C4' energy: -185.207 flat angles C4'-P-C4' energy: -228.956 flat angles P-C4'-P energy: -134.561 tors. eta vs tors. theta energy: -309.818 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: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -3765.674279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3765.674279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3765.674279 (E_RNA) where: Base-Base interactions energy: -2709.627 where: short stacking energy: -1063.150 Base-Backbone interact. energy: 1.887 local terms energy: -1057.934006 where: bonds (distance) C4'-P energy: -189.372 bonds (distance) P-C4' energy: -180.534 flat angles C4'-P-C4' energy: -215.174 flat angles P-C4'-P energy: -159.748 tors. eta vs tors. theta energy: -313.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -3608.462898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3608.462898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3608.462898 (E_RNA) where: Base-Base interactions energy: -2626.738 where: short stacking energy: -1010.136 Base-Backbone interact. energy: -3.324 local terms energy: -978.400829 where: bonds (distance) C4'-P energy: -161.226 bonds (distance) P-C4' energy: -178.186 flat angles C4'-P-C4' energy: -198.617 flat angles P-C4'-P energy: -141.082 tors. eta vs tors. theta energy: -299.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -3533.040122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3533.040122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3533.040122 (E_RNA) where: Base-Base interactions energy: -2556.913 where: short stacking energy: -988.368 Base-Backbone interact. energy: -3.298 local terms energy: -972.829027 where: bonds (distance) C4'-P energy: -159.310 bonds (distance) P-C4' energy: -164.838 flat angles C4'-P-C4' energy: -216.910 flat angles P-C4'-P energy: -146.910 tors. eta vs tors. theta energy: -284.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -3482.046187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.046187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.046187 (E_RNA) where: Base-Base interactions energy: -2567.848 where: short stacking energy: -984.775 Base-Backbone interact. energy: -1.085 local terms energy: -913.113978 where: bonds (distance) C4'-P energy: -149.368 bonds (distance) P-C4' energy: -152.567 flat angles C4'-P-C4' energy: -203.874 flat angles P-C4'-P energy: -123.746 tors. eta vs tors. theta energy: -283.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -3425.642701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3425.642701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3425.642701 (E_RNA) where: Base-Base interactions energy: -2480.012 where: short stacking energy: -969.828 Base-Backbone interact. energy: 2.687 local terms energy: -948.317763 where: bonds (distance) C4'-P energy: -161.711 bonds (distance) P-C4' energy: -168.710 flat angles C4'-P-C4' energy: -198.155 flat angles P-C4'-P energy: -121.352 tors. eta vs tors. theta energy: -298.390 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: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -3156.018532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.018532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.018532 (E_RNA) where: Base-Base interactions energy: -2271.544 where: short stacking energy: -905.086 Base-Backbone interact. energy: -2.766 local terms energy: -881.707779 where: bonds (distance) C4'-P energy: -165.125 bonds (distance) P-C4' energy: -145.914 flat angles C4'-P-C4' energy: -194.629 flat angles P-C4'-P energy: -121.574 tors. eta vs tors. theta energy: -254.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -3079.047599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.047599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.047599 (E_RNA) where: Base-Base interactions energy: -2197.390 where: short stacking energy: -862.633 Base-Backbone interact. energy: -0.963 local terms energy: -880.694051 where: bonds (distance) C4'-P energy: -161.710 bonds (distance) P-C4' energy: -159.939 flat angles C4'-P-C4' energy: -192.579 flat angles P-C4'-P energy: -122.148 tors. eta vs tors. theta energy: -244.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -3016.583245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.583245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.583245 (E_RNA) where: Base-Base interactions energy: -2174.985 where: short stacking energy: -846.852 Base-Backbone interact. energy: 0.425 local terms energy: -842.022892 where: bonds (distance) C4'-P energy: -148.979 bonds (distance) P-C4' energy: -143.902 flat angles C4'-P-C4' energy: -188.336 flat angles P-C4'-P energy: -118.694 tors. eta vs tors. theta energy: -242.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -2410.644267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.644267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.644267 (E_RNA) where: Base-Base interactions energy: -1728.368 where: short stacking energy: -696.111 Base-Backbone interact. energy: -5.188 local terms energy: -677.087795 where: bonds (distance) C4'-P energy: -123.220 bonds (distance) P-C4' energy: -126.828 flat angles C4'-P-C4' energy: -169.091 flat angles P-C4'-P energy: -84.832 tors. eta vs tors. theta energy: -173.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3852.977662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3852.977662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3852.977662 (E_RNA) where: Base-Base interactions energy: -2774.881 where: short stacking energy: -1082.221 Base-Backbone interact. energy: -2.868 local terms energy: -1075.228898 where: bonds (distance) C4'-P energy: -183.265 bonds (distance) P-C4' energy: -197.189 flat angles C4'-P-C4' energy: -224.093 flat angles P-C4'-P energy: -151.313 tors. eta vs tors. theta energy: -319.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -3775.554229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3775.554229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3775.554229 (E_RNA) where: Base-Base interactions energy: -2760.050 where: short stacking energy: -1066.302 Base-Backbone interact. energy: -2.267 local terms energy: -1013.237702 where: bonds (distance) C4'-P energy: -166.764 bonds (distance) P-C4' energy: -183.018 flat angles C4'-P-C4' energy: -220.100 flat angles P-C4'-P energy: -135.394 tors. eta vs tors. theta energy: -307.962 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: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -3624.870263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3624.870263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3624.870263 (E_RNA) where: Base-Base interactions energy: -2621.076 where: short stacking energy: -1034.998 Base-Backbone interact. energy: -4.672 local terms energy: -999.121780 where: bonds (distance) C4'-P energy: -170.894 bonds (distance) P-C4' energy: -171.994 flat angles C4'-P-C4' energy: -225.313 flat angles P-C4'-P energy: -131.657 tors. eta vs tors. theta energy: -299.264 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: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -3536.249391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3536.249391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3536.249391 (E_RNA) where: Base-Base interactions energy: -2548.116 where: short stacking energy: -990.297 Base-Backbone interact. energy: -0.700 local terms energy: -987.432791 where: bonds (distance) C4'-P energy: -170.185 bonds (distance) P-C4' energy: -186.112 flat angles C4'-P-C4' energy: -210.048 flat angles P-C4'-P energy: -136.432 tors. eta vs tors. theta energy: -284.655 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: 241 Temperature: 1.100000 Total energy: -3442.397707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3442.397707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3442.397707 (E_RNA) where: Base-Base interactions energy: -2499.326 where: short stacking energy: -955.076 Base-Backbone interact. energy: -4.438 local terms energy: -938.634043 where: bonds (distance) C4'-P energy: -155.191 bonds (distance) P-C4' energy: -177.106 flat angles C4'-P-C4' energy: -198.012 flat angles P-C4'-P energy: -134.591 tors. eta vs tors. theta energy: -273.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -3398.290076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3398.290076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3398.290076 (E_RNA) where: Base-Base interactions energy: -2513.548 where: short stacking energy: -991.241 Base-Backbone interact. energy: -1.361 local terms energy: -883.381441 where: bonds (distance) C4'-P energy: -139.301 bonds (distance) P-C4' energy: -145.972 flat angles C4'-P-C4' energy: -199.332 flat angles P-C4'-P energy: -118.017 tors. eta vs tors. theta energy: -280.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -3082.804962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.804962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.804962 (E_RNA) where: Base-Base interactions energy: -2216.609 where: short stacking energy: -872.185 Base-Backbone interact. energy: -2.302 local terms energy: -863.894045 where: bonds (distance) C4'-P energy: -144.586 bonds (distance) P-C4' energy: -167.215 flat angles C4'-P-C4' energy: -190.470 flat angles P-C4'-P energy: -116.199 tors. eta vs tors. theta energy: -245.423 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: 241 Temperature: 1.250000 Total energy: -3082.191809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.191809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.191809 (E_RNA) where: Base-Base interactions energy: -2248.985 where: short stacking energy: -870.917 Base-Backbone interact. energy: -1.071 local terms energy: -832.135902 where: bonds (distance) C4'-P energy: -160.858 bonds (distance) P-C4' energy: -133.693 flat angles C4'-P-C4' energy: -180.711 flat angles P-C4'-P energy: -105.796 tors. eta vs tors. theta energy: -251.078 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: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -3055.715451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.715451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.715451 (E_RNA) where: Base-Base interactions energy: -2226.320 where: short stacking energy: -871.658 Base-Backbone interact. energy: 4.180 local terms energy: -833.574740 where: bonds (distance) C4'-P energy: -134.187 bonds (distance) P-C4' energy: -140.179 flat angles C4'-P-C4' energy: -181.080 flat angles P-C4'-P energy: -117.958 tors. eta vs tors. theta energy: -260.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -2419.195660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.195660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.195660 (E_RNA) where: Base-Base interactions energy: -1715.960 where: short stacking energy: -691.908 Base-Backbone interact. energy: 1.080 local terms energy: -704.315716 where: bonds (distance) C4'-P energy: -119.631 bonds (distance) P-C4' energy: -155.925 flat angles C4'-P-C4' energy: -152.705 flat angles P-C4'-P energy: -96.177 tors. eta vs tors. theta energy: -179.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3857.860796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3857.860796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3857.860796 (E_RNA) where: Base-Base interactions energy: -2819.524 where: short stacking energy: -1109.925 Base-Backbone interact. energy: -1.107 local terms energy: -1037.229409 where: bonds (distance) C4'-P energy: -167.433 bonds (distance) P-C4' energy: -183.100 flat angles C4'-P-C4' energy: -225.356 flat angles P-C4'-P energy: -140.827 tors. eta vs tors. theta energy: -320.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -3755.736855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.736855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.736855 (E_RNA) where: Base-Base interactions energy: -2747.658 where: short stacking energy: -1072.791 Base-Backbone interact. energy: 0.439 local terms energy: -1008.517932 where: bonds (distance) C4'-P energy: -165.300 bonds (distance) P-C4' energy: -181.468 flat angles C4'-P-C4' energy: -210.422 flat angles P-C4'-P energy: -147.033 tors. eta vs tors. theta energy: -304.295 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: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -3598.778358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.778358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.778358 (E_RNA) where: Base-Base interactions energy: -2594.611 where: short stacking energy: -1021.279 Base-Backbone interact. energy: -0.442 local terms energy: -1003.725600 where: bonds (distance) C4'-P energy: -183.192 bonds (distance) P-C4' energy: -171.483 flat angles C4'-P-C4' energy: -212.405 flat angles P-C4'-P energy: -143.307 tors. eta vs tors. theta energy: -293.339 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: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -3518.998909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3518.998909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3518.998909 (E_RNA) where: Base-Base interactions energy: -2594.294 where: short stacking energy: -998.739 Base-Backbone interact. energy: 2.272 local terms energy: -926.976777 where: bonds (distance) C4'-P energy: -142.650 bonds (distance) P-C4' energy: -161.033 flat angles C4'-P-C4' energy: -206.232 flat angles P-C4'-P energy: -142.041 tors. eta vs tors. theta energy: -275.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -3461.060941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.060941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.060941 (E_RNA) where: Base-Base interactions energy: -2514.322 where: short stacking energy: -975.732 Base-Backbone interact. energy: 0.886 local terms energy: -947.625450 where: bonds (distance) C4'-P energy: -140.099 bonds (distance) P-C4' energy: -174.230 flat angles C4'-P-C4' energy: -215.656 flat angles P-C4'-P energy: -130.983 tors. eta vs tors. theta energy: -286.656 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: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -3381.337464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3381.337464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3381.337464 (E_RNA) where: Base-Base interactions energy: -2472.516 where: short stacking energy: -950.638 Base-Backbone interact. energy: -0.925 local terms energy: -907.896614 where: bonds (distance) C4'-P energy: -180.017 bonds (distance) P-C4' energy: -144.528 flat angles C4'-P-C4' energy: -189.253 flat angles P-C4'-P energy: -136.292 tors. eta vs tors. theta energy: -257.806 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: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -3162.011846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.011846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.011846 (E_RNA) where: Base-Base interactions energy: -2269.744 where: short stacking energy: -905.946 Base-Backbone interact. energy: -0.548 local terms energy: -891.719627 where: bonds (distance) C4'-P energy: -142.414 bonds (distance) P-C4' energy: -164.835 flat angles C4'-P-C4' energy: -200.149 flat angles P-C4'-P energy: -130.211 tors. eta vs tors. theta energy: -254.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -3137.726174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.726174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.726174 (E_RNA) where: Base-Base interactions energy: -2301.152 where: short stacking energy: -877.091 Base-Backbone interact. energy: 1.215 local terms energy: -837.789686 where: bonds (distance) C4'-P energy: -143.046 bonds (distance) P-C4' energy: -148.156 flat angles C4'-P-C4' energy: -180.665 flat angles P-C4'-P energy: -115.723 tors. eta vs tors. theta energy: -250.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -3033.805232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.805232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.805232 (E_RNA) where: Base-Base interactions energy: -2242.473 where: short stacking energy: -871.546 Base-Backbone interact. energy: -1.225 local terms energy: -790.107166 where: bonds (distance) C4'-P energy: -145.607 bonds (distance) P-C4' energy: -139.791 flat angles C4'-P-C4' energy: -166.725 flat angles P-C4'-P energy: -98.049 tors. eta vs tors. theta energy: -239.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -2459.886993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.886993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.886993 (E_RNA) where: Base-Base interactions energy: -1722.697 where: short stacking energy: -670.250 Base-Backbone interact. energy: -4.162 local terms energy: -733.027639 where: bonds (distance) C4'-P energy: -161.843 bonds (distance) P-C4' energy: -129.300 flat angles C4'-P-C4' energy: -171.782 flat angles P-C4'-P energy: -99.636 tors. eta vs tors. theta energy: -170.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3858.066105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3858.066105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3858.066105 (E_RNA) where: Base-Base interactions energy: -2796.851 where: short stacking energy: -1073.072 Base-Backbone interact. energy: -0.425 local terms energy: -1060.789225 where: bonds (distance) C4'-P energy: -189.494 bonds (distance) P-C4' energy: -186.242 flat angles C4'-P-C4' energy: -221.487 flat angles P-C4'-P energy: -153.947 tors. eta vs tors. theta energy: -309.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -3790.683866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.683866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.683866 (E_RNA) where: Base-Base interactions energy: -2746.678 where: short stacking energy: -1080.453 Base-Backbone interact. energy: 0.533 local terms energy: -1044.539024 where: bonds (distance) C4'-P energy: -174.494 bonds (distance) P-C4' energy: -180.616 flat angles C4'-P-C4' energy: -219.726 flat angles P-C4'-P energy: -157.730 tors. eta vs tors. theta energy: -311.973 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: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -3601.028313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3601.028313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3601.028313 (E_RNA) where: Base-Base interactions energy: -2568.095 where: short stacking energy: -1017.643 Base-Backbone interact. energy: -1.745 local terms energy: -1031.187955 where: bonds (distance) C4'-P energy: -161.692 bonds (distance) P-C4' energy: -182.432 flat angles C4'-P-C4' energy: -228.095 flat angles P-C4'-P energy: -152.078 tors. eta vs tors. theta energy: -306.892 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: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -3540.667773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3540.667773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3540.667773 (E_RNA) where: Base-Base interactions energy: -2582.102 where: short stacking energy: -1003.620 Base-Backbone interact. energy: -0.365 local terms energy: -958.200442 where: bonds (distance) C4'-P energy: -182.977 bonds (distance) P-C4' energy: -130.175 flat angles C4'-P-C4' energy: -214.391 flat angles P-C4'-P energy: -144.612 tors. eta vs tors. theta energy: -286.046 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: 243 Temperature: 1.100000 Total energy: -3462.747113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.747113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.747113 (E_RNA) where: Base-Base interactions energy: -2532.793 where: short stacking energy: -964.878 Base-Backbone interact. energy: 4.026 local terms energy: -933.979920 where: bonds (distance) C4'-P energy: -155.578 bonds (distance) P-C4' energy: -154.080 flat angles C4'-P-C4' energy: -206.977 flat angles P-C4'-P energy: -129.138 tors. eta vs tors. theta energy: -288.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -3358.870713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3358.870713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3358.870713 (E_RNA) where: Base-Base interactions energy: -2441.179 where: short stacking energy: -977.549 Base-Backbone interact. energy: -0.292 local terms energy: -917.399893 where: bonds (distance) C4'-P energy: -150.215 bonds (distance) P-C4' energy: -150.631 flat angles C4'-P-C4' energy: -198.893 flat angles P-C4'-P energy: -134.150 tors. eta vs tors. theta energy: -283.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -3159.280114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.280114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.280114 (E_RNA) where: Base-Base interactions energy: -2270.654 where: short stacking energy: -908.312 Base-Backbone interact. energy: -0.885 local terms energy: -887.741098 where: bonds (distance) C4'-P energy: -162.971 bonds (distance) P-C4' energy: -145.466 flat angles C4'-P-C4' energy: -200.914 flat angles P-C4'-P energy: -118.688 tors. eta vs tors. theta energy: -259.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -3153.484387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.484387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.484387 (E_RNA) where: Base-Base interactions energy: -2269.148 where: short stacking energy: -908.621 Base-Backbone interact. energy: -0.822 local terms energy: -883.514393 where: bonds (distance) C4'-P energy: -140.706 bonds (distance) P-C4' energy: -161.702 flat angles C4'-P-C4' energy: -190.890 flat angles P-C4'-P energy: -132.466 tors. eta vs tors. theta energy: -257.749 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: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -3081.594152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.594152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.594152 (E_RNA) where: Base-Base interactions energy: -2233.936 where: short stacking energy: -880.825 Base-Backbone interact. energy: -1.603 local terms energy: -846.054720 where: bonds (distance) C4'-P energy: -136.268 bonds (distance) P-C4' energy: -141.876 flat angles C4'-P-C4' energy: -179.147 flat angles P-C4'-P energy: -119.887 tors. eta vs tors. theta energy: -268.877 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: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -2447.054116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.054116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.054116 (E_RNA) where: Base-Base interactions energy: -1729.749 where: short stacking energy: -685.357 Base-Backbone interact. energy: 0.383 local terms energy: -717.688646 where: bonds (distance) C4'-P energy: -126.877 bonds (distance) P-C4' energy: -139.016 flat angles C4'-P-C4' energy: -157.322 flat angles P-C4'-P energy: -111.403 tors. eta vs tors. theta energy: -183.071 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: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3847.549142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3847.549142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3847.549142 (E_RNA) where: Base-Base interactions energy: -2809.968 where: short stacking energy: -1079.312 Base-Backbone interact. energy: -0.808 local terms energy: -1036.772932 where: bonds (distance) C4'-P energy: -174.260 bonds (distance) P-C4' energy: -177.636 flat angles C4'-P-C4' energy: -217.548 flat angles P-C4'-P energy: -154.343 tors. eta vs tors. theta energy: -312.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -3759.217350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3759.217350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3759.217350 (E_RNA) where: Base-Base interactions energy: -2723.366 where: short stacking energy: -1087.965 Base-Backbone interact. energy: -2.240 local terms energy: -1033.611529 where: bonds (distance) C4'-P energy: -179.626 bonds (distance) P-C4' energy: -180.355 flat angles C4'-P-C4' energy: -216.062 flat angles P-C4'-P energy: -151.933 tors. eta vs tors. theta energy: -305.635 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: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -3584.079861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3584.079861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3584.079861 (E_RNA) where: Base-Base interactions energy: -2581.220 where: short stacking energy: -1021.580 Base-Backbone interact. energy: -1.467 local terms energy: -1001.393098 where: bonds (distance) C4'-P energy: -172.298 bonds (distance) P-C4' energy: -180.153 flat angles C4'-P-C4' energy: -206.066 flat angles P-C4'-P energy: -142.505 tors. eta vs tors. theta energy: -300.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -3545.507249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3545.507249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3545.507249 (E_RNA) where: Base-Base interactions energy: -2592.809 where: short stacking energy: -996.190 Base-Backbone interact. energy: -2.685 local terms energy: -950.013555 where: bonds (distance) C4'-P energy: -160.382 bonds (distance) P-C4' energy: -162.975 flat angles C4'-P-C4' energy: -206.985 flat angles P-C4'-P energy: -130.247 tors. eta vs tors. theta energy: -289.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -3475.222425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3475.222425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3475.222425 (E_RNA) where: Base-Base interactions energy: -2516.817 where: short stacking energy: -965.023 Base-Backbone interact. energy: -2.755 local terms energy: -955.650222 where: bonds (distance) C4'-P energy: -165.032 bonds (distance) P-C4' energy: -164.252 flat angles C4'-P-C4' energy: -204.576 flat angles P-C4'-P energy: -137.907 tors. eta vs tors. theta energy: -283.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -3377.668255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3377.668255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3377.668255 (E_RNA) where: Base-Base interactions energy: -2480.664 where: short stacking energy: -963.241 Base-Backbone interact. energy: -1.398 local terms energy: -895.605543 where: bonds (distance) C4'-P energy: -146.264 bonds (distance) P-C4' energy: -148.262 flat angles C4'-P-C4' energy: -192.926 flat angles P-C4'-P energy: -125.800 tors. eta vs tors. theta energy: -282.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -3149.465576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.465576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.465576 (E_RNA) where: Base-Base interactions energy: -2285.771 where: short stacking energy: -909.469 Base-Backbone interact. energy: -0.931 local terms energy: -862.763624 where: bonds (distance) C4'-P energy: -136.912 bonds (distance) P-C4' energy: -163.753 flat angles C4'-P-C4' energy: -192.845 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -257.882 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: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -3104.513479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.513479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.513479 (E_RNA) where: Base-Base interactions energy: -2220.752 where: short stacking energy: -857.903 Base-Backbone interact. energy: 3.890 local terms energy: -887.651028 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -175.065 flat angles C4'-P-C4' energy: -194.847 flat angles P-C4'-P energy: -117.568 tors. eta vs tors. theta energy: -258.775 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: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -3033.758839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.758839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.758839 (E_RNA) where: Base-Base interactions energy: -2242.422 where: short stacking energy: -847.722 Base-Backbone interact. energy: -1.193 local terms energy: -790.143980 where: bonds (distance) C4'-P energy: -123.542 bonds (distance) P-C4' energy: -142.939 flat angles C4'-P-C4' energy: -167.720 flat angles P-C4'-P energy: -110.870 tors. eta vs tors. theta energy: -245.073 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: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -2503.185706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.185706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.185706 (E_RNA) where: Base-Base interactions energy: -1754.956 where: short stacking energy: -684.855 Base-Backbone interact. energy: -3.866 local terms energy: -744.363574 where: bonds (distance) C4'-P energy: -149.717 bonds (distance) P-C4' energy: -150.973 flat angles C4'-P-C4' energy: -169.453 flat angles P-C4'-P energy: -109.341 tors. eta vs tors. theta energy: -164.880 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: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3851.715667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3851.715667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3851.715667 (E_RNA) where: Base-Base interactions energy: -2803.736 where: short stacking energy: -1083.777 Base-Backbone interact. energy: -4.054 local terms energy: -1043.925536 where: bonds (distance) C4'-P energy: -174.810 bonds (distance) P-C4' energy: -195.325 flat angles C4'-P-C4' energy: -221.191 flat angles P-C4'-P energy: -139.759 tors. eta vs tors. theta energy: -312.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -3782.810518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3782.810518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3782.810518 (E_RNA) where: Base-Base interactions energy: -2746.816 where: short stacking energy: -1081.213 Base-Backbone interact. energy: -1.769 local terms energy: -1034.224732 where: bonds (distance) C4'-P energy: -165.586 bonds (distance) P-C4' energy: -190.670 flat angles C4'-P-C4' energy: -212.364 flat angles P-C4'-P energy: -155.406 tors. eta vs tors. theta energy: -310.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -3592.832319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3592.832319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3592.832319 (E_RNA) where: Base-Base interactions energy: -2610.857 where: short stacking energy: -1017.901 Base-Backbone interact. energy: -0.420 local terms energy: -981.555573 where: bonds (distance) C4'-P energy: -168.579 bonds (distance) P-C4' energy: -159.444 flat angles C4'-P-C4' energy: -206.606 flat angles P-C4'-P energy: -152.860 tors. eta vs tors. theta energy: -294.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -3508.987885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3508.987885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3508.987885 (E_RNA) where: Base-Base interactions energy: -2557.334 where: short stacking energy: -974.563 Base-Backbone interact. energy: -1.293 local terms energy: -950.360884 where: bonds (distance) C4'-P energy: -175.978 bonds (distance) P-C4' energy: -168.926 flat angles C4'-P-C4' energy: -195.814 flat angles P-C4'-P energy: -128.672 tors. eta vs tors. theta energy: -280.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -3468.715114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.715114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.715114 (E_RNA) where: Base-Base interactions energy: -2528.255 where: short stacking energy: -969.174 Base-Backbone interact. energy: -1.177 local terms energy: -939.283497 where: bonds (distance) C4'-P energy: -150.454 bonds (distance) P-C4' energy: -153.539 flat angles C4'-P-C4' energy: -199.802 flat angles P-C4'-P energy: -147.409 tors. eta vs tors. theta energy: -288.079 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: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -3379.706720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3379.706720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3379.706720 (E_RNA) where: Base-Base interactions energy: -2455.109 where: short stacking energy: -957.220 Base-Backbone interact. energy: -2.011 local terms energy: -922.585742 where: bonds (distance) C4'-P energy: -170.288 bonds (distance) P-C4' energy: -155.585 flat angles C4'-P-C4' energy: -194.985 flat angles P-C4'-P energy: -131.783 tors. eta vs tors. theta energy: -269.944 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: 7, replica: 7 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -3179.179372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.179372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.179372 (E_RNA) where: Base-Base interactions energy: -2269.367 where: short stacking energy: -891.090 Base-Backbone interact. energy: -2.403 local terms energy: -907.409645 where: bonds (distance) C4'-P energy: -173.841 bonds (distance) P-C4' energy: -159.377 flat angles C4'-P-C4' energy: -183.303 flat angles P-C4'-P energy: -130.844 tors. eta vs tors. theta energy: -260.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -3071.382344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.382344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.382344 (E_RNA) where: Base-Base interactions energy: -2228.894 where: short stacking energy: -869.403 Base-Backbone interact. energy: -1.914 local terms energy: -840.574444 where: bonds (distance) C4'-P energy: -137.293 bonds (distance) P-C4' energy: -127.182 flat angles C4'-P-C4' energy: -187.026 flat angles P-C4'-P energy: -133.263 tors. eta vs tors. theta energy: -255.810 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: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -3062.071242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.071242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.071242 (E_RNA) where: Base-Base interactions energy: -2204.606 where: short stacking energy: -847.439 Base-Backbone interact. energy: -2.890 local terms energy: -854.575052 where: bonds (distance) C4'-P energy: -143.197 bonds (distance) P-C4' energy: -143.331 flat angles C4'-P-C4' energy: -185.310 flat angles P-C4'-P energy: -131.570 tors. eta vs tors. theta energy: -251.168 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: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -2614.187792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.187792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.187792 (E_RNA) where: Base-Base interactions energy: -1892.560 where: short stacking energy: -745.050 Base-Backbone interact. energy: -1.723 local terms energy: -719.905009 where: bonds (distance) C4'-P energy: -120.061 bonds (distance) P-C4' energy: -158.339 flat angles C4'-P-C4' energy: -152.610 flat angles P-C4'-P energy: -100.143 tors. eta vs tors. theta energy: -188.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3875.212915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3875.212915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3875.212915 (E_RNA) where: Base-Base interactions energy: -2843.225 where: short stacking energy: -1105.207 Base-Backbone interact. energy: -2.796 local terms energy: -1029.192629 where: bonds (distance) C4'-P energy: -169.402 bonds (distance) P-C4' energy: -180.203 flat angles C4'-P-C4' energy: -215.480 flat angles P-C4'-P energy: -143.896 tors. eta vs tors. theta energy: -320.212 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: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -3764.491105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3764.491105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3764.491105 (E_RNA) where: Base-Base interactions energy: -2773.328 where: short stacking energy: -1077.369 Base-Backbone interact. energy: -4.079 local terms energy: -987.084625 where: bonds (distance) C4'-P energy: -176.629 bonds (distance) P-C4' energy: -156.980 flat angles C4'-P-C4' energy: -210.649 flat angles P-C4'-P energy: -142.632 tors. eta vs tors. theta energy: -300.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -3641.862955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3641.862955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3641.862955 (E_RNA) where: Base-Base interactions energy: -2633.995 where: short stacking energy: -1031.106 Base-Backbone interact. energy: 0.118 local terms energy: -1007.986132 where: bonds (distance) C4'-P energy: -173.692 bonds (distance) P-C4' energy: -174.654 flat angles C4'-P-C4' energy: -215.933 flat angles P-C4'-P energy: -140.773 tors. eta vs tors. theta energy: -302.934 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: 4, replica: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -3525.440447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.440447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.440447 (E_RNA) where: Base-Base interactions energy: -2573.708 where: short stacking energy: -1001.559 Base-Backbone interact. energy: -2.525 local terms energy: -949.207875 where: bonds (distance) C4'-P energy: -153.108 bonds (distance) P-C4' energy: -163.283 flat angles C4'-P-C4' energy: -206.563 flat angles P-C4'-P energy: -131.554 tors. eta vs tors. theta energy: -294.700 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: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -3484.011851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.011851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.011851 (E_RNA) where: Base-Base interactions energy: -2525.563 where: short stacking energy: -963.423 Base-Backbone interact. energy: -1.506 local terms energy: -956.943038 where: bonds (distance) C4'-P energy: -160.834 bonds (distance) P-C4' energy: -161.856 flat angles C4'-P-C4' energy: -211.361 flat angles P-C4'-P energy: -143.501 tors. eta vs tors. theta energy: -279.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -3364.961422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.961422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.961422 (E_RNA) where: Base-Base interactions energy: -2481.741 where: short stacking energy: -979.315 Base-Backbone interact. energy: 3.490 local terms energy: -886.710104 where: bonds (distance) C4'-P energy: -141.420 bonds (distance) P-C4' energy: -173.380 flat angles C4'-P-C4' energy: -189.897 flat angles P-C4'-P energy: -111.864 tors. eta vs tors. theta energy: -270.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -3186.560358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.560358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.560358 (E_RNA) where: Base-Base interactions energy: -2286.171 where: short stacking energy: -911.605 Base-Backbone interact. energy: 0.134 local terms energy: -900.523307 where: bonds (distance) C4'-P energy: -153.500 bonds (distance) P-C4' energy: -143.703 flat angles C4'-P-C4' energy: -208.983 flat angles P-C4'-P energy: -115.660 tors. eta vs tors. theta energy: -278.678 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: 6 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -3116.980091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.980091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.980091 (E_RNA) where: Base-Base interactions energy: -2218.783 where: short stacking energy: -864.564 Base-Backbone interact. energy: -0.937 local terms energy: -897.260045 where: bonds (distance) C4'-P energy: -162.894 bonds (distance) P-C4' energy: -139.956 flat angles C4'-P-C4' energy: -203.050 flat angles P-C4'-P energy: -131.823 tors. eta vs tors. theta energy: -259.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -3035.706783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.706783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.706783 (E_RNA) where: Base-Base interactions energy: -2180.622 where: short stacking energy: -833.286 Base-Backbone interact. energy: -3.530 local terms energy: -851.554216 where: bonds (distance) C4'-P energy: -144.462 bonds (distance) P-C4' energy: -158.684 flat angles C4'-P-C4' energy: -186.957 flat angles P-C4'-P energy: -110.790 tors. eta vs tors. theta energy: -250.661 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: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -2649.278248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.278248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.278248 (E_RNA) where: Base-Base interactions energy: -1887.154 where: short stacking energy: -734.691 Base-Backbone interact. energy: 1.969 local terms energy: -764.093093 where: bonds (distance) C4'-P energy: -133.723 bonds (distance) P-C4' energy: -132.920 flat angles C4'-P-C4' energy: -164.347 flat angles P-C4'-P energy: -117.062 tors. eta vs tors. theta energy: -216.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3846.961802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3846.961802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3846.961802 (E_RNA) where: Base-Base interactions energy: -2775.837 where: short stacking energy: -1074.431 Base-Backbone interact. energy: -3.831 local terms energy: -1067.293603 where: bonds (distance) C4'-P energy: -186.016 bonds (distance) P-C4' energy: -181.883 flat angles C4'-P-C4' energy: -223.676 flat angles P-C4'-P energy: -156.615 tors. eta vs tors. theta energy: -319.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -3777.482957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.482957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.482957 (E_RNA) where: Base-Base interactions energy: -2759.140 where: short stacking energy: -1060.641 Base-Backbone interact. energy: -1.879 local terms energy: -1016.464281 where: bonds (distance) C4'-P energy: -186.341 bonds (distance) P-C4' energy: -179.954 flat angles C4'-P-C4' energy: -214.117 flat angles P-C4'-P energy: -141.546 tors. eta vs tors. theta energy: -294.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -3662.497207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3662.497207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3662.497207 (E_RNA) where: Base-Base interactions energy: -2672.564 where: short stacking energy: -1032.389 Base-Backbone interact. energy: 1.339 local terms energy: -991.272729 where: bonds (distance) C4'-P energy: -160.439 bonds (distance) P-C4' energy: -173.877 flat angles C4'-P-C4' energy: -222.808 flat angles P-C4'-P energy: -142.360 tors. eta vs tors. theta energy: -291.788 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: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -3514.627214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3514.627214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3514.627214 (E_RNA) where: Base-Base interactions energy: -2538.073 where: short stacking energy: -976.077 Base-Backbone interact. energy: 2.461 local terms energy: -979.015266 where: bonds (distance) C4'-P energy: -173.834 bonds (distance) P-C4' energy: -175.154 flat angles C4'-P-C4' energy: -214.561 flat angles P-C4'-P energy: -130.889 tors. eta vs tors. theta energy: -284.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -3488.569671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.569671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.569671 (E_RNA) where: Base-Base interactions energy: -2530.368 where: short stacking energy: -980.735 Base-Backbone interact. energy: -1.301 local terms energy: -956.900536 where: bonds (distance) C4'-P energy: -171.497 bonds (distance) P-C4' energy: -159.439 flat angles C4'-P-C4' energy: -199.013 flat angles P-C4'-P energy: -142.756 tors. eta vs tors. theta energy: -284.196 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: 6, replica: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -3386.575204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3386.575204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3386.575204 (E_RNA) where: Base-Base interactions energy: -2472.030 where: short stacking energy: -955.167 Base-Backbone interact. energy: 1.280 local terms energy: -915.825132 where: bonds (distance) C4'-P energy: -148.854 bonds (distance) P-C4' energy: -148.934 flat angles C4'-P-C4' energy: -187.227 flat angles P-C4'-P energy: -138.958 tors. eta vs tors. theta energy: -291.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -3165.067795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.067795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.067795 (E_RNA) where: Base-Base interactions energy: -2303.002 where: short stacking energy: -909.838 Base-Backbone interact. energy: 1.632 local terms energy: -863.696975 where: bonds (distance) C4'-P energy: -137.651 bonds (distance) P-C4' energy: -135.854 flat angles C4'-P-C4' energy: -202.156 flat angles P-C4'-P energy: -123.846 tors. eta vs tors. theta energy: -264.190 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: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -3172.412135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.412135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.412135 (E_RNA) where: Base-Base interactions energy: -2326.058 where: short stacking energy: -906.811 Base-Backbone interact. energy: -1.968 local terms energy: -844.386058 where: bonds (distance) C4'-P energy: -140.052 bonds (distance) P-C4' energy: -127.501 flat angles C4'-P-C4' energy: -198.692 flat angles P-C4'-P energy: -120.303 tors. eta vs tors. theta energy: -257.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -3057.100425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.100425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.100425 (E_RNA) where: Base-Base interactions energy: -2191.363 where: short stacking energy: -889.071 Base-Backbone interact. energy: -2.199 local terms energy: -863.538857 where: bonds (distance) C4'-P energy: -159.389 bonds (distance) P-C4' energy: -154.343 flat angles C4'-P-C4' energy: -185.432 flat angles P-C4'-P energy: -115.698 tors. eta vs tors. theta energy: -248.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -2566.405854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.405854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.405854 (E_RNA) where: Base-Base interactions energy: -1824.745 where: short stacking energy: -703.180 Base-Backbone interact. energy: -1.387 local terms energy: -740.273933 where: bonds (distance) C4'-P energy: -156.146 bonds (distance) P-C4' energy: -137.634 flat angles C4'-P-C4' energy: -148.741 flat angles P-C4'-P energy: -111.948 tors. eta vs tors. theta energy: -185.804 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: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3887.101722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3887.101722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3887.101722 (E_RNA) where: Base-Base interactions energy: -2829.758 where: short stacking energy: -1099.242 Base-Backbone interact. energy: -3.119 local terms energy: -1054.224915 where: bonds (distance) C4'-P energy: -170.103 bonds (distance) P-C4' energy: -193.848 flat angles C4'-P-C4' energy: -220.051 flat angles P-C4'-P energy: -148.877 tors. eta vs tors. theta energy: -321.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -3784.202782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3784.202782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3784.202782 (E_RNA) where: Base-Base interactions energy: -2720.959 where: short stacking energy: -1043.922 Base-Backbone interact. energy: -1.561 local terms energy: -1061.682984 where: bonds (distance) C4'-P energy: -184.535 bonds (distance) P-C4' energy: -187.546 flat angles C4'-P-C4' energy: -223.897 flat angles P-C4'-P energy: -163.049 tors. eta vs tors. theta energy: -302.656 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: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -3616.181871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3616.181871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3616.181871 (E_RNA) where: Base-Base interactions energy: -2620.812 where: short stacking energy: -1018.169 Base-Backbone interact. energy: -3.772 local terms energy: -991.598218 where: bonds (distance) C4'-P energy: -161.524 bonds (distance) P-C4' energy: -163.764 flat angles C4'-P-C4' energy: -207.460 flat angles P-C4'-P energy: -160.988 tors. eta vs tors. theta energy: -297.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -3516.064008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3516.064008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3516.064008 (E_RNA) where: Base-Base interactions energy: -2539.305 where: short stacking energy: -988.712 Base-Backbone interact. energy: -4.942 local terms energy: -971.817923 where: bonds (distance) C4'-P energy: -180.801 bonds (distance) P-C4' energy: -167.074 flat angles C4'-P-C4' energy: -199.029 flat angles P-C4'-P energy: -141.860 tors. eta vs tors. theta energy: -283.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -3416.971384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3416.971384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3416.971384 (E_RNA) where: Base-Base interactions energy: -2471.201 where: short stacking energy: -971.617 Base-Backbone interact. energy: -2.998 local terms energy: -942.772367 where: bonds (distance) C4'-P energy: -155.893 bonds (distance) P-C4' energy: -167.010 flat angles C4'-P-C4' energy: -204.390 flat angles P-C4'-P energy: -142.491 tors. eta vs tors. theta energy: -272.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -3385.494411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3385.494411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3385.494411 (E_RNA) where: Base-Base interactions energy: -2468.823 where: short stacking energy: -960.095 Base-Backbone interact. energy: -1.572 local terms energy: -915.099675 where: bonds (distance) C4'-P energy: -157.775 bonds (distance) P-C4' energy: -155.605 flat angles C4'-P-C4' energy: -201.193 flat angles P-C4'-P energy: -126.025 tors. eta vs tors. theta energy: -274.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -3190.420317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.420317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.420317 (E_RNA) where: Base-Base interactions energy: -2280.719 where: short stacking energy: -900.172 Base-Backbone interact. energy: -1.826 local terms energy: -907.874442 where: bonds (distance) C4'-P energy: -147.872 bonds (distance) P-C4' energy: -160.963 flat angles C4'-P-C4' energy: -200.924 flat angles P-C4'-P energy: -135.262 tors. eta vs tors. theta energy: -262.853 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: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -3119.446517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.446517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.446517 (E_RNA) where: Base-Base interactions energy: -2232.957 where: short stacking energy: -889.941 Base-Backbone interact. energy: 2.263 local terms energy: -888.752039 where: bonds (distance) C4'-P energy: -140.252 bonds (distance) P-C4' energy: -161.890 flat angles C4'-P-C4' energy: -202.723 flat angles P-C4'-P energy: -119.599 tors. eta vs tors. theta energy: -264.288 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: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -3019.347856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.347856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.347856 (E_RNA) where: Base-Base interactions energy: -2184.079 where: short stacking energy: -838.078 Base-Backbone interact. energy: -1.118 local terms energy: -834.150034 where: bonds (distance) C4'-P energy: -145.493 bonds (distance) P-C4' energy: -151.407 flat angles C4'-P-C4' energy: -184.700 flat angles P-C4'-P energy: -112.326 tors. eta vs tors. theta energy: -240.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -2482.480151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.480151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.480151 (E_RNA) where: Base-Base interactions energy: -1793.070 where: short stacking energy: -708.620 Base-Backbone interact. energy: 0.218 local terms energy: -689.628481 where: bonds (distance) C4'-P energy: -110.964 bonds (distance) P-C4' energy: -138.724 flat angles C4'-P-C4' energy: -162.621 flat angles P-C4'-P energy: -96.292 tors. eta vs tors. theta energy: -181.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3875.548361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3875.548361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3875.548361 (E_RNA) where: Base-Base interactions energy: -2842.531 where: short stacking energy: -1087.489 Base-Backbone interact. energy: -1.467 local terms energy: -1031.550899 where: bonds (distance) C4'-P energy: -189.551 bonds (distance) P-C4' energy: -185.060 flat angles C4'-P-C4' energy: -214.376 flat angles P-C4'-P energy: -139.644 tors. eta vs tors. theta energy: -302.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -3793.171791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3793.171791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3793.171791 (E_RNA) where: Base-Base interactions energy: -2760.011 where: short stacking energy: -1062.907 Base-Backbone interact. energy: -0.818 local terms energy: -1032.343248 where: bonds (distance) C4'-P energy: -192.716 bonds (distance) P-C4' energy: -166.674 flat angles C4'-P-C4' energy: -223.729 flat angles P-C4'-P energy: -152.025 tors. eta vs tors. theta energy: -297.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -3628.946724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3628.946724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3628.946724 (E_RNA) where: Base-Base interactions energy: -2642.174 where: short stacking energy: -1046.044 Base-Backbone interact. energy: -1.091 local terms energy: -985.681871 where: bonds (distance) C4'-P energy: -151.980 bonds (distance) P-C4' energy: -160.906 flat angles C4'-P-C4' energy: -222.074 flat angles P-C4'-P energy: -146.563 tors. eta vs tors. theta energy: -304.159 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: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -3520.219493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3520.219493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3520.219493 (E_RNA) where: Base-Base interactions energy: -2547.359 where: short stacking energy: -989.740 Base-Backbone interact. energy: -1.921 local terms energy: -970.939562 where: bonds (distance) C4'-P energy: -176.880 bonds (distance) P-C4' energy: -169.053 flat angles C4'-P-C4' energy: -205.209 flat angles P-C4'-P energy: -139.685 tors. eta vs tors. theta energy: -280.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -3448.451460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.451460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.451460 (E_RNA) where: Base-Base interactions energy: -2487.243 where: short stacking energy: -974.192 Base-Backbone interact. energy: -0.756 local terms energy: -960.452571 where: bonds (distance) C4'-P energy: -160.740 bonds (distance) P-C4' energy: -169.192 flat angles C4'-P-C4' energy: -210.839 flat angles P-C4'-P energy: -147.912 tors. eta vs tors. theta energy: -271.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -3408.100136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3408.100136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3408.100136 (E_RNA) where: Base-Base interactions energy: -2494.794 where: short stacking energy: -969.459 Base-Backbone interact. energy: -1.266 local terms energy: -912.040167 where: bonds (distance) C4'-P energy: -140.403 bonds (distance) P-C4' energy: -158.635 flat angles C4'-P-C4' energy: -191.569 flat angles P-C4'-P energy: -138.185 tors. eta vs tors. theta energy: -283.249 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: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -3191.722334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.722334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.722334 (E_RNA) where: Base-Base interactions energy: -2279.152 where: short stacking energy: -917.041 Base-Backbone interact. energy: 0.009 local terms energy: -912.578553 where: bonds (distance) C4'-P energy: -160.445 bonds (distance) P-C4' energy: -164.789 flat angles C4'-P-C4' energy: -193.768 flat angles P-C4'-P energy: -123.473 tors. eta vs tors. theta energy: -270.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -3103.208928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.208928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.208928 (E_RNA) where: Base-Base interactions energy: -2250.290 where: short stacking energy: -880.656 Base-Backbone interact. energy: -2.429 local terms energy: -850.490103 where: bonds (distance) C4'-P energy: -153.622 bonds (distance) P-C4' energy: -138.298 flat angles C4'-P-C4' energy: -194.787 flat angles P-C4'-P energy: -107.632 tors. eta vs tors. theta energy: -256.150 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: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -3006.044482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.044482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.044482 (E_RNA) where: Base-Base interactions energy: -2161.438 where: short stacking energy: -822.384 Base-Backbone interact. energy: 1.047 local terms energy: -845.653160 where: bonds (distance) C4'-P energy: -148.839 bonds (distance) P-C4' energy: -137.754 flat angles C4'-P-C4' energy: -188.331 flat angles P-C4'-P energy: -111.661 tors. eta vs tors. theta energy: -259.069 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: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -2467.533412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.533412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.533412 (E_RNA) where: Base-Base interactions energy: -1754.292 where: short stacking energy: -708.228 Base-Backbone interact. energy: 5.380 local terms energy: -718.621573 where: bonds (distance) C4'-P energy: -117.282 bonds (distance) P-C4' energy: -157.648 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -98.804 tors. eta vs tors. theta energy: -186.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3856.275223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3856.275223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3856.275223 (E_RNA) where: Base-Base interactions energy: -2820.484 where: short stacking energy: -1087.671 Base-Backbone interact. energy: -1.939 local terms energy: -1033.851807 where: bonds (distance) C4'-P energy: -187.921 bonds (distance) P-C4' energy: -172.061 flat angles C4'-P-C4' energy: -220.403 flat angles P-C4'-P energy: -150.532 tors. eta vs tors. theta energy: -302.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -3756.898188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.898188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.898188 (E_RNA) where: Base-Base interactions energy: -2718.128 where: short stacking energy: -1044.174 Base-Backbone interact. energy: -1.670 local terms energy: -1037.100820 where: bonds (distance) C4'-P energy: -181.081 bonds (distance) P-C4' energy: -185.078 flat angles C4'-P-C4' energy: -220.978 flat angles P-C4'-P energy: -150.406 tors. eta vs tors. theta energy: -299.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -3638.126375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3638.126375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3638.126375 (E_RNA) where: Base-Base interactions energy: -2648.778 where: short stacking energy: -1032.185 Base-Backbone interact. energy: -1.721 local terms energy: -987.627402 where: bonds (distance) C4'-P energy: -146.446 bonds (distance) P-C4' energy: -182.412 flat angles C4'-P-C4' energy: -214.747 flat angles P-C4'-P energy: -142.390 tors. eta vs tors. theta energy: -301.633 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: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -3510.897869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3510.897869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3510.897869 (E_RNA) where: Base-Base interactions energy: -2550.372 where: short stacking energy: -997.849 Base-Backbone interact. energy: 1.724 local terms energy: -962.250009 where: bonds (distance) C4'-P energy: -170.384 bonds (distance) P-C4' energy: -172.979 flat angles C4'-P-C4' energy: -211.493 flat angles P-C4'-P energy: -126.720 tors. eta vs tors. theta energy: -280.675 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: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -3461.962155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.962155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.962155 (E_RNA) where: Base-Base interactions energy: -2541.753 where: short stacking energy: -997.965 Base-Backbone interact. energy: -3.646 local terms energy: -916.562922 where: bonds (distance) C4'-P energy: -165.017 bonds (distance) P-C4' energy: -135.308 flat angles C4'-P-C4' energy: -195.794 flat angles P-C4'-P energy: -146.719 tors. eta vs tors. theta energy: -273.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -3405.326228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.326228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.326228 (E_RNA) where: Base-Base interactions energy: -2471.565 where: short stacking energy: -965.164 Base-Backbone interact. energy: 1.798 local terms energy: -935.558926 where: bonds (distance) C4'-P energy: -163.267 bonds (distance) P-C4' energy: -158.039 flat angles C4'-P-C4' energy: -203.797 flat angles P-C4'-P energy: -139.639 tors. eta vs tors. theta energy: -270.817 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -3211.504585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.504585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.504585 (E_RNA) where: Base-Base interactions energy: -2333.661 where: short stacking energy: -908.702 Base-Backbone interact. energy: -2.734 local terms energy: -875.109463 where: bonds (distance) C4'-P energy: -143.395 bonds (distance) P-C4' energy: -154.142 flat angles C4'-P-C4' energy: -183.611 flat angles P-C4'-P energy: -120.684 tors. eta vs tors. theta energy: -273.278 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: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -3152.151386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.151386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.151386 (E_RNA) where: Base-Base interactions energy: -2293.749 where: short stacking energy: -894.017 Base-Backbone interact. energy: 1.630 local terms energy: -860.032684 where: bonds (distance) C4'-P energy: -156.335 bonds (distance) P-C4' energy: -149.599 flat angles C4'-P-C4' energy: -169.278 flat angles P-C4'-P energy: -136.147 tors. eta vs tors. theta energy: -248.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -2941.857349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.857349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.857349 (E_RNA) where: Base-Base interactions energy: -2144.734 where: short stacking energy: -811.879 Base-Backbone interact. energy: -1.289 local terms energy: -795.834816 where: bonds (distance) C4'-P energy: -113.821 bonds (distance) P-C4' energy: -143.766 flat angles C4'-P-C4' energy: -178.174 flat angles P-C4'-P energy: -122.970 tors. eta vs tors. theta energy: -237.104 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: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -2526.620383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.620383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.620383 (E_RNA) where: Base-Base interactions energy: -1818.751 where: short stacking energy: -729.217 Base-Backbone interact. energy: -2.000 local terms energy: -705.869115 where: bonds (distance) C4'-P energy: -134.942 bonds (distance) P-C4' energy: -128.183 flat angles C4'-P-C4' energy: -162.152 flat angles P-C4'-P energy: -88.372 tors. eta vs tors. theta energy: -192.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3855.229281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3855.229281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3855.229281 (E_RNA) where: Base-Base interactions energy: -2804.703 where: short stacking energy: -1092.611 Base-Backbone interact. energy: 0.062 local terms energy: -1050.588156 where: bonds (distance) C4'-P energy: -184.862 bonds (distance) P-C4' energy: -190.904 flat angles C4'-P-C4' energy: -222.531 flat angles P-C4'-P energy: -139.571 tors. eta vs tors. theta energy: -312.720 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: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -3803.726429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3803.726429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3803.726429 (E_RNA) where: Base-Base interactions energy: -2767.219 where: short stacking energy: -1076.254 Base-Backbone interact. energy: -1.580 local terms energy: -1034.927041 where: bonds (distance) C4'-P energy: -174.878 bonds (distance) P-C4' energy: -187.555 flat angles C4'-P-C4' energy: -215.150 flat angles P-C4'-P energy: -146.416 tors. eta vs tors. theta energy: -310.927 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: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -3636.761551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3636.761551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3636.761551 (E_RNA) where: Base-Base interactions energy: -2658.437 where: short stacking energy: -1059.324 Base-Backbone interact. energy: -1.979 local terms energy: -976.345576 where: bonds (distance) C4'-P energy: -160.870 bonds (distance) P-C4' energy: -166.746 flat angles C4'-P-C4' energy: -211.372 flat angles P-C4'-P energy: -131.766 tors. eta vs tors. theta energy: -305.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -3539.003991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3539.003991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3539.003991 (E_RNA) where: Base-Base interactions energy: -2570.453 where: short stacking energy: -998.138 Base-Backbone interact. energy: -1.990 local terms energy: -966.561168 where: bonds (distance) C4'-P energy: -171.085 bonds (distance) P-C4' energy: -190.011 flat angles C4'-P-C4' energy: -193.569 flat angles P-C4'-P energy: -139.511 tors. eta vs tors. theta energy: -272.385 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: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -3448.383992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.383992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.383992 (E_RNA) where: Base-Base interactions energy: -2507.404 where: short stacking energy: -980.534 Base-Backbone interact. energy: -1.658 local terms energy: -939.321748 where: bonds (distance) C4'-P energy: -155.196 bonds (distance) P-C4' energy: -165.220 flat angles C4'-P-C4' energy: -219.239 flat angles P-C4'-P energy: -127.132 tors. eta vs tors. theta energy: -272.534 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: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -3375.270637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3375.270637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3375.270637 (E_RNA) where: Base-Base interactions energy: -2471.985 where: short stacking energy: -966.478 Base-Backbone interact. energy: -0.998 local terms energy: -902.288247 where: bonds (distance) C4'-P energy: -146.976 bonds (distance) P-C4' energy: -141.714 flat angles C4'-P-C4' energy: -196.215 flat angles P-C4'-P energy: -135.907 tors. eta vs tors. theta energy: -281.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -3164.392693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.392693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.392693 (E_RNA) where: Base-Base interactions energy: -2254.991 where: short stacking energy: -880.137 Base-Backbone interact. energy: 1.846 local terms energy: -911.247608 where: bonds (distance) C4'-P energy: -167.932 bonds (distance) P-C4' energy: -148.546 flat angles C4'-P-C4' energy: -199.991 flat angles P-C4'-P energy: -138.304 tors. eta vs tors. theta energy: -256.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -3128.952915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.952915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.952915 (E_RNA) where: Base-Base interactions energy: -2288.861 where: short stacking energy: -907.459 Base-Backbone interact. energy: -0.584 local terms energy: -839.507793 where: bonds (distance) C4'-P energy: -143.514 bonds (distance) P-C4' energy: -125.488 flat angles C4'-P-C4' energy: -186.055 flat angles P-C4'-P energy: -124.203 tors. eta vs tors. theta energy: -260.248 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: 251 Temperature: 1.300000 Total energy: -2957.549044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.549044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.549044 (E_RNA) where: Base-Base interactions energy: -2142.966 where: short stacking energy: -850.116 Base-Backbone interact. energy: 5.123 local terms energy: -819.706405 where: bonds (distance) C4'-P energy: -135.869 bonds (distance) P-C4' energy: -161.675 flat angles C4'-P-C4' energy: -183.425 flat angles P-C4'-P energy: -99.218 tors. eta vs tors. theta energy: -239.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -2522.695754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.695754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.695754 (E_RNA) where: Base-Base interactions energy: -1777.491 where: short stacking energy: -694.221 Base-Backbone interact. energy: -2.391 local terms energy: -742.813969 where: bonds (distance) C4'-P energy: -146.782 bonds (distance) P-C4' energy: -137.123 flat angles C4'-P-C4' energy: -172.711 flat angles P-C4'-P energy: -115.429 tors. eta vs tors. theta energy: -170.769 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: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3848.565037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3848.565037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3848.565037 (E_RNA) where: Base-Base interactions energy: -2831.670 where: short stacking energy: -1075.936 Base-Backbone interact. energy: -1.570 local terms energy: -1015.324785 where: bonds (distance) C4'-P energy: -178.478 bonds (distance) P-C4' energy: -175.615 flat angles C4'-P-C4' energy: -206.161 flat angles P-C4'-P energy: -135.767 tors. eta vs tors. theta energy: -319.304 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: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -3781.321676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3781.321676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3781.321676 (E_RNA) where: Base-Base interactions energy: -2754.816 where: short stacking energy: -1071.967 Base-Backbone interact. energy: 1.361 local terms energy: -1027.867205 where: bonds (distance) C4'-P energy: -171.886 bonds (distance) P-C4' energy: -186.547 flat angles C4'-P-C4' energy: -207.097 flat angles P-C4'-P energy: -150.594 tors. eta vs tors. theta energy: -311.743 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: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -3662.626131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3662.626131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3662.626131 (E_RNA) where: Base-Base interactions energy: -2663.935 where: short stacking energy: -1035.488 Base-Backbone interact. energy: 0.363 local terms energy: -999.053945 where: bonds (distance) C4'-P energy: -168.259 bonds (distance) P-C4' energy: -166.022 flat angles C4'-P-C4' energy: -212.908 flat angles P-C4'-P energy: -156.919 tors. eta vs tors. theta energy: -294.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -3587.014239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3587.014239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3587.014239 (E_RNA) where: Base-Base interactions energy: -2612.096 where: short stacking energy: -1022.921 Base-Backbone interact. energy: -1.951 local terms energy: -972.967262 where: bonds (distance) C4'-P energy: -173.945 bonds (distance) P-C4' energy: -174.485 flat angles C4'-P-C4' energy: -200.006 flat angles P-C4'-P energy: -135.147 tors. eta vs tors. theta energy: -289.385 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: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -3444.708694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.708694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.708694 (E_RNA) where: Base-Base interactions energy: -2504.497 where: short stacking energy: -985.727 Base-Backbone interact. energy: -1.584 local terms energy: -938.627733 where: bonds (distance) C4'-P energy: -156.821 bonds (distance) P-C4' energy: -156.393 flat angles C4'-P-C4' energy: -201.793 flat angles P-C4'-P energy: -135.457 tors. eta vs tors. theta energy: -288.164 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: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -3394.402412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3394.402412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3394.402412 (E_RNA) where: Base-Base interactions energy: -2466.217 where: short stacking energy: -957.451 Base-Backbone interact. energy: -2.153 local terms energy: -926.032829 where: bonds (distance) C4'-P energy: -163.472 bonds (distance) P-C4' energy: -147.373 flat angles C4'-P-C4' energy: -210.233 flat angles P-C4'-P energy: -125.381 tors. eta vs tors. theta energy: -279.573 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: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -3207.843445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.843445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.843445 (E_RNA) where: Base-Base interactions energy: -2288.842 where: short stacking energy: -901.987 Base-Backbone interact. energy: -1.043 local terms energy: -917.958481 where: bonds (distance) C4'-P energy: -142.525 bonds (distance) P-C4' energy: -159.736 flat angles C4'-P-C4' energy: -199.963 flat angles P-C4'-P energy: -144.495 tors. eta vs tors. theta energy: -271.240 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: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -3217.112340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.112340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.112340 (E_RNA) where: Base-Base interactions energy: -2354.012 where: short stacking energy: -916.825 Base-Backbone interact. energy: 0.702 local terms energy: -863.802469 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -151.343 flat angles C4'-P-C4' energy: -178.209 flat angles P-C4'-P energy: -132.580 tors. eta vs tors. theta energy: -269.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -2988.629223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.629223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.629223 (E_RNA) where: Base-Base interactions energy: -2173.901 where: short stacking energy: -850.854 Base-Backbone interact. energy: -4.184 local terms energy: -810.544140 where: bonds (distance) C4'-P energy: -121.532 bonds (distance) P-C4' energy: -130.300 flat angles C4'-P-C4' energy: -189.921 flat angles P-C4'-P energy: -118.693 tors. eta vs tors. theta energy: -250.098 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: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -2558.080063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.080063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.080063 (E_RNA) where: Base-Base interactions energy: -1852.722 where: short stacking energy: -725.586 Base-Backbone interact. energy: -1.180 local terms energy: -704.178072 where: bonds (distance) C4'-P energy: -134.489 bonds (distance) P-C4' energy: -120.989 flat angles C4'-P-C4' energy: -172.832 flat angles P-C4'-P energy: -94.843 tors. eta vs tors. theta energy: -181.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3872.488656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3872.488656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3872.488656 (E_RNA) where: Base-Base interactions energy: -2818.049 where: short stacking energy: -1104.326 Base-Backbone interact. energy: -2.803 local terms energy: -1051.636644 where: bonds (distance) C4'-P energy: -170.625 bonds (distance) P-C4' energy: -194.566 flat angles C4'-P-C4' energy: -222.872 flat angles P-C4'-P energy: -144.825 tors. eta vs tors. theta energy: -318.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -3802.466039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3802.466039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3802.466039 (E_RNA) where: Base-Base interactions energy: -2760.613 where: short stacking energy: -1082.909 Base-Backbone interact. energy: -1.338 local terms energy: -1040.514886 where: bonds (distance) C4'-P energy: -174.796 bonds (distance) P-C4' energy: -179.816 flat angles C4'-P-C4' energy: -224.843 flat angles P-C4'-P energy: -157.908 tors. eta vs tors. theta energy: -303.151 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: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -3635.619264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3635.619264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3635.619264 (E_RNA) where: Base-Base interactions energy: -2623.057 where: short stacking energy: -1034.087 Base-Backbone interact. energy: -0.290 local terms energy: -1012.272743 where: bonds (distance) C4'-P energy: -172.931 bonds (distance) P-C4' energy: -181.769 flat angles C4'-P-C4' energy: -209.671 flat angles P-C4'-P energy: -147.731 tors. eta vs tors. theta energy: -300.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -3566.119900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.119900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.119900 (E_RNA) where: Base-Base interactions energy: -2604.132 where: short stacking energy: -992.019 Base-Backbone interact. energy: -2.676 local terms energy: -959.312141 where: bonds (distance) C4'-P energy: -156.686 bonds (distance) P-C4' energy: -176.788 flat angles C4'-P-C4' energy: -201.444 flat angles P-C4'-P energy: -139.145 tors. eta vs tors. theta energy: -285.248 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: 10 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -3456.203144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3456.203144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3456.203144 (E_RNA) where: Base-Base interactions energy: -2519.496 where: short stacking energy: -965.232 Base-Backbone interact. energy: -2.887 local terms energy: -933.820470 where: bonds (distance) C4'-P energy: -150.621 bonds (distance) P-C4' energy: -165.642 flat angles C4'-P-C4' energy: -205.384 flat angles P-C4'-P energy: -128.619 tors. eta vs tors. theta energy: -283.554 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: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -3375.112915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3375.112915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3375.112915 (E_RNA) where: Base-Base interactions energy: -2464.921 where: short stacking energy: -972.875 Base-Backbone interact. energy: 1.348 local terms energy: -911.539753 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -149.563 flat angles C4'-P-C4' energy: -201.851 flat angles P-C4'-P energy: -116.407 tors. eta vs tors. theta energy: -291.085 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: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -3228.282597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.282597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.282597 (E_RNA) where: Base-Base interactions energy: -2339.491 where: short stacking energy: -960.750 Base-Backbone interact. energy: -2.214 local terms energy: -886.578124 where: bonds (distance) C4'-P energy: -153.504 bonds (distance) P-C4' energy: -153.321 flat angles C4'-P-C4' energy: -183.959 flat angles P-C4'-P energy: -139.311 tors. eta vs tors. theta energy: -256.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -3080.713209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.713209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.713209 (E_RNA) where: Base-Base interactions energy: -2220.622 where: short stacking energy: -877.829 Base-Backbone interact. energy: -4.129 local terms energy: -855.961861 where: bonds (distance) C4'-P energy: -149.525 bonds (distance) P-C4' energy: -162.289 flat angles C4'-P-C4' energy: -182.104 flat angles P-C4'-P energy: -102.462 tors. eta vs tors. theta energy: -259.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -3107.980598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.980598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.980598 (E_RNA) where: Base-Base interactions energy: -2291.206 where: short stacking energy: -894.190 Base-Backbone interact. energy: 0.696 local terms energy: -817.470683 where: bonds (distance) C4'-P energy: -167.518 bonds (distance) P-C4' energy: -138.617 flat angles C4'-P-C4' energy: -160.101 flat angles P-C4'-P energy: -96.370 tors. eta vs tors. theta energy: -254.864 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: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -2570.594926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.594926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.594926 (E_RNA) where: Base-Base interactions energy: -1849.289 where: short stacking energy: -750.986 Base-Backbone interact. energy: -2.972 local terms energy: -718.333842 where: bonds (distance) C4'-P energy: -128.062 bonds (distance) P-C4' energy: -122.773 flat angles C4'-P-C4' energy: -174.193 flat angles P-C4'-P energy: -100.126 tors. eta vs tors. theta energy: -193.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3853.275961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3853.275961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3853.275961 (E_RNA) where: Base-Base interactions energy: -2827.373 where: short stacking energy: -1109.556 Base-Backbone interact. energy: -2.694 local terms energy: -1023.209607 where: bonds (distance) C4'-P energy: -172.321 bonds (distance) P-C4' energy: -182.584 flat angles C4'-P-C4' energy: -218.751 flat angles P-C4'-P energy: -125.302 tors. eta vs tors. theta energy: -324.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -3754.558482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3754.558482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3754.558482 (E_RNA) where: Base-Base interactions energy: -2717.196 where: short stacking energy: -1049.834 Base-Backbone interact. energy: -0.741 local terms energy: -1036.620734 where: bonds (distance) C4'-P energy: -168.434 bonds (distance) P-C4' energy: -188.463 flat angles C4'-P-C4' energy: -228.181 flat angles P-C4'-P energy: -143.959 tors. eta vs tors. theta energy: -307.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -3665.007299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3665.007299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3665.007299 (E_RNA) where: Base-Base interactions energy: -2653.734 where: short stacking energy: -1042.071 Base-Backbone interact. energy: -3.321 local terms energy: -1007.951998 where: bonds (distance) C4'-P energy: -163.643 bonds (distance) P-C4' energy: -181.866 flat angles C4'-P-C4' energy: -220.853 flat angles P-C4'-P energy: -124.892 tors. eta vs tors. theta energy: -316.698 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: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -3566.755899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.755899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.755899 (E_RNA) where: Base-Base interactions energy: -2589.270 where: short stacking energy: -1007.415 Base-Backbone interact. energy: -3.070 local terms energy: -974.416365 where: bonds (distance) C4'-P energy: -176.597 bonds (distance) P-C4' energy: -165.389 flat angles C4'-P-C4' energy: -200.736 flat angles P-C4'-P energy: -142.782 tors. eta vs tors. theta energy: -288.912 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: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -3481.188604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.188604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.188604 (E_RNA) where: Base-Base interactions energy: -2534.179 where: short stacking energy: -999.040 Base-Backbone interact. energy: -3.240 local terms energy: -943.769725 where: bonds (distance) C4'-P energy: -152.527 bonds (distance) P-C4' energy: -157.418 flat angles C4'-P-C4' energy: -200.720 flat angles P-C4'-P energy: -141.656 tors. eta vs tors. theta energy: -291.450 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -3393.184608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3393.184608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3393.184608 (E_RNA) where: Base-Base interactions energy: -2465.663 where: short stacking energy: -961.112 Base-Backbone interact. energy: 4.302 local terms energy: -931.823710 where: bonds (distance) C4'-P energy: -157.796 bonds (distance) P-C4' energy: -157.032 flat angles C4'-P-C4' energy: -206.470 flat angles P-C4'-P energy: -126.023 tors. eta vs tors. theta energy: -284.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -3185.630339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.630339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.630339 (E_RNA) where: Base-Base interactions energy: -2329.808 where: short stacking energy: -922.938 Base-Backbone interact. energy: 1.831 local terms energy: -857.653226 where: bonds (distance) C4'-P energy: -136.760 bonds (distance) P-C4' energy: -153.510 flat angles C4'-P-C4' energy: -172.896 flat angles P-C4'-P energy: -123.851 tors. eta vs tors. theta energy: -270.636 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: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -3088.267251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.267251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.267251 (E_RNA) where: Base-Base interactions energy: -2243.099 where: short stacking energy: -889.418 Base-Backbone interact. energy: -0.962 local terms energy: -844.206523 where: bonds (distance) C4'-P energy: -150.729 bonds (distance) P-C4' energy: -140.572 flat angles C4'-P-C4' energy: -185.375 flat angles P-C4'-P energy: -111.240 tors. eta vs tors. theta energy: -256.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -3036.954347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.954347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.954347 (E_RNA) where: Base-Base interactions energy: -2201.963 where: short stacking energy: -855.824 Base-Backbone interact. energy: 0.907 local terms energy: -835.898706 where: bonds (distance) C4'-P energy: -155.114 bonds (distance) P-C4' energy: -147.212 flat angles C4'-P-C4' energy: -181.986 flat angles P-C4'-P energy: -114.466 tors. eta vs tors. theta energy: -237.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -2548.003576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.003576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.003576 (E_RNA) where: Base-Base interactions energy: -1824.902 where: short stacking energy: -703.699 Base-Backbone interact. energy: 2.374 local terms energy: -725.474815 where: bonds (distance) C4'-P energy: -115.135 bonds (distance) P-C4' energy: -137.352 flat angles C4'-P-C4' energy: -159.086 flat angles P-C4'-P energy: -109.383 tors. eta vs tors. theta energy: -204.518 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: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3864.733426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3864.733426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3864.733426 (E_RNA) where: Base-Base interactions energy: -2817.117 where: short stacking energy: -1082.025 Base-Backbone interact. energy: -1.756 local terms energy: -1045.860551 where: bonds (distance) C4'-P energy: -194.799 bonds (distance) P-C4' energy: -183.576 flat angles C4'-P-C4' energy: -208.678 flat angles P-C4'-P energy: -144.447 tors. eta vs tors. theta energy: -314.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -3767.336323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3767.336323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3767.336323 (E_RNA) where: Base-Base interactions energy: -2742.059 where: short stacking energy: -1051.368 Base-Backbone interact. energy: -1.425 local terms energy: -1023.852409 where: bonds (distance) C4'-P energy: -167.779 bonds (distance) P-C4' energy: -168.516 flat angles C4'-P-C4' energy: -209.660 flat angles P-C4'-P energy: -169.212 tors. eta vs tors. theta energy: -308.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -3707.367191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3707.367191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3707.367191 (E_RNA) where: Base-Base interactions energy: -2677.386 where: short stacking energy: -1054.622 Base-Backbone interact. energy: -2.859 local terms energy: -1027.122054 where: bonds (distance) C4'-P energy: -179.326 bonds (distance) P-C4' energy: -183.113 flat angles C4'-P-C4' energy: -212.416 flat angles P-C4'-P energy: -142.192 tors. eta vs tors. theta energy: -310.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -3591.826074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3591.826074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3591.826074 (E_RNA) where: Base-Base interactions energy: -2634.512 where: short stacking energy: -1005.236 Base-Backbone interact. energy: -2.097 local terms energy: -955.216956 where: bonds (distance) C4'-P energy: -147.175 bonds (distance) P-C4' energy: -178.753 flat angles C4'-P-C4' energy: -206.551 flat angles P-C4'-P energy: -130.906 tors. eta vs tors. theta energy: -291.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -3467.821005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.821005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.821005 (E_RNA) where: Base-Base interactions energy: -2529.360 where: short stacking energy: -975.708 Base-Backbone interact. energy: -2.670 local terms energy: -935.790451 where: bonds (distance) C4'-P energy: -164.367 bonds (distance) P-C4' energy: -182.052 flat angles C4'-P-C4' energy: -186.102 flat angles P-C4'-P energy: -128.432 tors. eta vs tors. theta energy: -274.837 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: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -3384.904741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3384.904741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3384.904741 (E_RNA) where: Base-Base interactions energy: -2477.654 where: short stacking energy: -987.966 Base-Backbone interact. energy: -0.165 local terms energy: -907.085839 where: bonds (distance) C4'-P energy: -144.646 bonds (distance) P-C4' energy: -152.501 flat angles C4'-P-C4' energy: -192.750 flat angles P-C4'-P energy: -134.191 tors. eta vs tors. theta energy: -282.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -3146.303347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.303347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.303347 (E_RNA) where: Base-Base interactions energy: -2242.584 where: short stacking energy: -889.615 Base-Backbone interact. energy: 0.470 local terms energy: -904.188961 where: bonds (distance) C4'-P energy: -165.208 bonds (distance) P-C4' energy: -147.342 flat angles C4'-P-C4' energy: -190.578 flat angles P-C4'-P energy: -136.592 tors. eta vs tors. theta energy: -264.469 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: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -3013.718024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.718024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.718024 (E_RNA) where: Base-Base interactions energy: -2182.334 where: short stacking energy: -846.575 Base-Backbone interact. energy: -0.445 local terms energy: -830.939350 where: bonds (distance) C4'-P energy: -140.446 bonds (distance) P-C4' energy: -139.820 flat angles C4'-P-C4' energy: -181.425 flat angles P-C4'-P energy: -126.173 tors. eta vs tors. theta energy: -243.075 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: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -3002.405709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.405709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.405709 (E_RNA) where: Base-Base interactions energy: -2204.588 where: short stacking energy: -865.345 Base-Backbone interact. energy: -1.298 local terms energy: -796.520206 where: bonds (distance) C4'-P energy: -113.958 bonds (distance) P-C4' energy: -132.359 flat angles C4'-P-C4' energy: -194.433 flat angles P-C4'-P energy: -110.528 tors. eta vs tors. theta energy: -245.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -2721.892429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.892429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.892429 (E_RNA) where: Base-Base interactions energy: -1945.079 where: short stacking energy: -772.962 Base-Backbone interact. energy: -0.749 local terms energy: -776.064846 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -161.627 flat angles C4'-P-C4' energy: -169.110 flat angles P-C4'-P energy: -98.270 tors. eta vs tors. theta energy: -226.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3839.957994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3839.957994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3839.957994 (E_RNA) where: Base-Base interactions energy: -2790.335 where: short stacking energy: -1088.387 Base-Backbone interact. energy: -4.736 local terms energy: -1044.886512 where: bonds (distance) C4'-P energy: -175.298 bonds (distance) P-C4' energy: -185.128 flat angles C4'-P-C4' energy: -216.700 flat angles P-C4'-P energy: -149.378 tors. eta vs tors. theta energy: -318.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -3774.734638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3774.734638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3774.734638 (E_RNA) where: Base-Base interactions energy: -2786.534 where: short stacking energy: -1061.640 Base-Backbone interact. energy: -1.687 local terms energy: -986.513932 where: bonds (distance) C4'-P energy: -155.185 bonds (distance) P-C4' energy: -174.779 flat angles C4'-P-C4' energy: -214.187 flat angles P-C4'-P energy: -141.416 tors. eta vs tors. theta energy: -300.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -3698.923395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3698.923395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3698.923395 (E_RNA) where: Base-Base interactions energy: -2665.161 where: short stacking energy: -1060.626 Base-Backbone interact. energy: -2.442 local terms energy: -1031.320352 where: bonds (distance) C4'-P energy: -172.590 bonds (distance) P-C4' energy: -172.976 flat angles C4'-P-C4' energy: -211.531 flat angles P-C4'-P energy: -154.895 tors. eta vs tors. theta energy: -319.328 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: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -3575.497040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3575.497040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3575.497040 (E_RNA) where: Base-Base interactions energy: -2593.517 where: short stacking energy: -1007.097 Base-Backbone interact. energy: 0.721 local terms energy: -982.700109 where: bonds (distance) C4'-P energy: -163.258 bonds (distance) P-C4' energy: -175.167 flat angles C4'-P-C4' energy: -208.533 flat angles P-C4'-P energy: -151.910 tors. eta vs tors. theta energy: -283.833 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: 10 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -3480.912541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3480.912541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3480.912541 (E_RNA) where: Base-Base interactions energy: -2537.802 where: short stacking energy: -988.975 Base-Backbone interact. energy: 0.413 local terms energy: -943.523550 where: bonds (distance) C4'-P energy: -152.470 bonds (distance) P-C4' energy: -148.386 flat angles C4'-P-C4' energy: -212.653 flat angles P-C4'-P energy: -136.844 tors. eta vs tors. theta energy: -293.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -3380.354571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3380.354571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3380.354571 (E_RNA) where: Base-Base interactions energy: -2482.659 where: short stacking energy: -960.781 Base-Backbone interact. energy: -1.565 local terms energy: -896.130147 where: bonds (distance) C4'-P energy: -147.262 bonds (distance) P-C4' energy: -153.198 flat angles C4'-P-C4' energy: -198.263 flat angles P-C4'-P energy: -127.577 tors. eta vs tors. theta energy: -269.831 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: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -3244.866201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.866201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.866201 (E_RNA) where: Base-Base interactions energy: -2328.759 where: short stacking energy: -908.284 Base-Backbone interact. energy: -1.937 local terms energy: -914.170219 where: bonds (distance) C4'-P energy: -153.559 bonds (distance) P-C4' energy: -155.819 flat angles C4'-P-C4' energy: -197.264 flat angles P-C4'-P energy: -137.186 tors. eta vs tors. theta energy: -270.343 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: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -3050.399304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.399304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.399304 (E_RNA) where: Base-Base interactions energy: -2195.746 where: short stacking energy: -877.091 Base-Backbone interact. energy: -4.179 local terms energy: -850.473665 where: bonds (distance) C4'-P energy: -155.923 bonds (distance) P-C4' energy: -164.617 flat angles C4'-P-C4' energy: -176.618 flat angles P-C4'-P energy: -97.535 tors. eta vs tors. theta energy: -255.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -3122.557633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.557633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.557633 (E_RNA) where: Base-Base interactions energy: -2270.569 where: short stacking energy: -887.071 Base-Backbone interact. energy: -3.274 local terms energy: -848.714595 where: bonds (distance) C4'-P energy: -134.799 bonds (distance) P-C4' energy: -140.434 flat angles C4'-P-C4' energy: -188.765 flat angles P-C4'-P energy: -116.881 tors. eta vs tors. theta energy: -267.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -2785.232984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.232984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.232984 (E_RNA) where: Base-Base interactions energy: -1949.816 where: short stacking energy: -768.783 Base-Backbone interact. energy: 0.849 local terms energy: -836.266084 where: bonds (distance) C4'-P energy: -159.504 bonds (distance) P-C4' energy: -144.826 flat angles C4'-P-C4' energy: -184.301 flat angles P-C4'-P energy: -118.056 tors. eta vs tors. theta energy: -229.579 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: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3851.269269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3851.269269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3851.269269 (E_RNA) where: Base-Base interactions energy: -2770.483 where: short stacking energy: -1077.863 Base-Backbone interact. energy: -0.666 local terms energy: -1080.120385 where: bonds (distance) C4'-P energy: -196.001 bonds (distance) P-C4' energy: -187.002 flat angles C4'-P-C4' energy: -225.271 flat angles P-C4'-P energy: -152.077 tors. eta vs tors. theta energy: -319.770 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: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -3804.162149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3804.162149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3804.162149 (E_RNA) where: Base-Base interactions energy: -2761.143 where: short stacking energy: -1073.798 Base-Backbone interact. energy: 1.032 local terms energy: -1044.051039 where: bonds (distance) C4'-P energy: -195.695 bonds (distance) P-C4' energy: -172.010 flat angles C4'-P-C4' energy: -211.159 flat angles P-C4'-P energy: -149.173 tors. eta vs tors. theta energy: -316.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -3674.317610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3674.317610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3674.317610 (E_RNA) where: Base-Base interactions energy: -2667.927 where: short stacking energy: -1044.020 Base-Backbone interact. energy: 1.076 local terms energy: -1007.466129 where: bonds (distance) C4'-P energy: -168.561 bonds (distance) P-C4' energy: -174.388 flat angles C4'-P-C4' energy: -217.057 flat angles P-C4'-P energy: -128.241 tors. eta vs tors. theta energy: -319.220 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: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -3541.939365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3541.939365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3541.939365 (E_RNA) where: Base-Base interactions energy: -2582.421 where: short stacking energy: -968.158 Base-Backbone interact. energy: -0.442 local terms energy: -959.077123 where: bonds (distance) C4'-P energy: -157.953 bonds (distance) P-C4' energy: -166.300 flat angles C4'-P-C4' energy: -208.605 flat angles P-C4'-P energy: -139.339 tors. eta vs tors. theta energy: -286.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -3483.797311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.797311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.797311 (E_RNA) where: Base-Base interactions energy: -2540.161 where: short stacking energy: -958.268 Base-Backbone interact. energy: 2.913 local terms energy: -946.549318 where: bonds (distance) C4'-P energy: -153.480 bonds (distance) P-C4' energy: -170.153 flat angles C4'-P-C4' energy: -209.788 flat angles P-C4'-P energy: -130.358 tors. eta vs tors. theta energy: -282.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -3418.370315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3418.370315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3418.370315 (E_RNA) where: Base-Base interactions energy: -2474.156 where: short stacking energy: -954.958 Base-Backbone interact. energy: -2.460 local terms energy: -941.754194 where: bonds (distance) C4'-P energy: -156.355 bonds (distance) P-C4' energy: -163.997 flat angles C4'-P-C4' energy: -200.782 flat angles P-C4'-P energy: -140.824 tors. eta vs tors. theta energy: -279.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -3224.297353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.297353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.297353 (E_RNA) where: Base-Base interactions energy: -2331.142 where: short stacking energy: -903.117 Base-Backbone interact. energy: 1.455 local terms energy: -894.611255 where: bonds (distance) C4'-P energy: -146.158 bonds (distance) P-C4' energy: -159.513 flat angles C4'-P-C4' energy: -193.441 flat angles P-C4'-P energy: -126.056 tors. eta vs tors. theta energy: -269.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -3210.833341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.833341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.833341 (E_RNA) where: Base-Base interactions energy: -2323.193 where: short stacking energy: -908.794 Base-Backbone interact. energy: -0.284 local terms energy: -887.356896 where: bonds (distance) C4'-P energy: -144.359 bonds (distance) P-C4' energy: -161.298 flat angles C4'-P-C4' energy: -191.097 flat angles P-C4'-P energy: -125.615 tors. eta vs tors. theta energy: -264.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -2962.752314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.752314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.752314 (E_RNA) where: Base-Base interactions energy: -2138.819 where: short stacking energy: -819.579 Base-Backbone interact. energy: 5.971 local terms energy: -829.904233 where: bonds (distance) C4'-P energy: -130.219 bonds (distance) P-C4' energy: -156.702 flat angles C4'-P-C4' energy: -173.551 flat angles P-C4'-P energy: -122.429 tors. eta vs tors. theta energy: -247.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -2601.937652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.937652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.937652 (E_RNA) where: Base-Base interactions energy: -1832.712 where: short stacking energy: -731.434 Base-Backbone interact. energy: 2.215 local terms energy: -771.440539 where: bonds (distance) C4'-P energy: -158.326 bonds (distance) P-C4' energy: -132.612 flat angles C4'-P-C4' energy: -176.786 flat angles P-C4'-P energy: -107.792 tors. eta vs tors. theta energy: -195.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3888.424386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3888.424386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3888.424386 (E_RNA) where: Base-Base interactions energy: -2849.972 where: short stacking energy: -1112.014 Base-Backbone interact. energy: -2.936 local terms energy: -1035.516283 where: bonds (distance) C4'-P energy: -174.355 bonds (distance) P-C4' energy: -182.604 flat angles C4'-P-C4' energy: -215.550 flat angles P-C4'-P energy: -150.225 tors. eta vs tors. theta energy: -312.782 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: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -3766.921759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3766.921759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3766.921759 (E_RNA) where: Base-Base interactions energy: -2743.162 where: short stacking energy: -1081.350 Base-Backbone interact. energy: 1.325 local terms energy: -1025.085009 where: bonds (distance) C4'-P energy: -153.964 bonds (distance) P-C4' energy: -194.689 flat angles C4'-P-C4' energy: -210.639 flat angles P-C4'-P energy: -143.276 tors. eta vs tors. theta energy: -322.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -3686.991857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3686.991857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3686.991857 (E_RNA) where: Base-Base interactions energy: -2647.262 where: short stacking energy: -1031.785 Base-Backbone interact. energy: -1.096 local terms energy: -1038.633753 where: bonds (distance) C4'-P energy: -186.436 bonds (distance) P-C4' energy: -172.798 flat angles C4'-P-C4' energy: -222.133 flat angles P-C4'-P energy: -150.988 tors. eta vs tors. theta energy: -306.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -3529.226879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3529.226879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3529.226879 (E_RNA) where: Base-Base interactions energy: -2558.517 where: short stacking energy: -965.423 Base-Backbone interact. energy: 3.471 local terms energy: -974.180887 where: bonds (distance) C4'-P energy: -165.693 bonds (distance) P-C4' energy: -174.589 flat angles C4'-P-C4' energy: -209.454 flat angles P-C4'-P energy: -138.052 tors. eta vs tors. theta energy: -286.393 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: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -3473.361544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.361544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.361544 (E_RNA) where: Base-Base interactions energy: -2502.498 where: short stacking energy: -989.828 Base-Backbone interact. energy: -0.890 local terms energy: -969.973284 where: bonds (distance) C4'-P energy: -164.505 bonds (distance) P-C4' energy: -154.332 flat angles C4'-P-C4' energy: -207.769 flat angles P-C4'-P energy: -142.462 tors. eta vs tors. theta energy: -300.906 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: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -3396.068091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.068091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.068091 (E_RNA) where: Base-Base interactions energy: -2463.395 where: short stacking energy: -950.443 Base-Backbone interact. energy: -0.315 local terms energy: -932.358978 where: bonds (distance) C4'-P energy: -153.160 bonds (distance) P-C4' energy: -153.129 flat angles C4'-P-C4' energy: -213.513 flat angles P-C4'-P energy: -139.959 tors. eta vs tors. theta energy: -272.598 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: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -3151.304745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.304745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.304745 (E_RNA) where: Base-Base interactions energy: -2274.341 where: short stacking energy: -870.017 Base-Backbone interact. energy: 3.347 local terms energy: -880.310569 where: bonds (distance) C4'-P energy: -160.245 bonds (distance) P-C4' energy: -158.154 flat angles C4'-P-C4' energy: -175.637 flat angles P-C4'-P energy: -138.764 tors. eta vs tors. theta energy: -247.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -3197.087795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.087795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.087795 (E_RNA) where: Base-Base interactions energy: -2339.684 where: short stacking energy: -913.124 Base-Backbone interact. energy: -2.682 local terms energy: -854.721778 where: bonds (distance) C4'-P energy: -137.850 bonds (distance) P-C4' energy: -129.087 flat angles C4'-P-C4' energy: -191.887 flat angles P-C4'-P energy: -126.564 tors. eta vs tors. theta energy: -269.334 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: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -2918.285024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.285024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.285024 (E_RNA) where: Base-Base interactions energy: -2097.226 where: short stacking energy: -825.778 Base-Backbone interact. energy: -4.134 local terms energy: -816.924570 where: bonds (distance) C4'-P energy: -158.223 bonds (distance) P-C4' energy: -159.737 flat angles C4'-P-C4' energy: -167.400 flat angles P-C4'-P energy: -104.330 tors. eta vs tors. theta energy: -227.235 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: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -2594.105926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.105926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.105926 (E_RNA) where: Base-Base interactions energy: -1863.507 where: short stacking energy: -733.014 Base-Backbone interact. energy: 1.675 local terms energy: -732.274219 where: bonds (distance) C4'-P energy: -105.421 bonds (distance) P-C4' energy: -144.927 flat angles C4'-P-C4' energy: -168.646 flat angles P-C4'-P energy: -112.474 tors. eta vs tors. theta energy: -200.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3874.030821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3874.030821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3874.030821 (E_RNA) where: Base-Base interactions energy: -2810.646 where: short stacking energy: -1075.024 Base-Backbone interact. energy: -5.323 local terms energy: -1058.061678 where: bonds (distance) C4'-P energy: -191.818 bonds (distance) P-C4' energy: -188.441 flat angles C4'-P-C4' energy: -225.984 flat angles P-C4'-P energy: -143.345 tors. eta vs tors. theta energy: -308.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -3779.790194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3779.790194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3779.790194 (E_RNA) where: Base-Base interactions energy: -2721.316 where: short stacking energy: -1077.887 Base-Backbone interact. energy: -2.884 local terms energy: -1055.590016 where: bonds (distance) C4'-P energy: -184.284 bonds (distance) P-C4' energy: -184.021 flat angles C4'-P-C4' energy: -221.148 flat angles P-C4'-P energy: -146.732 tors. eta vs tors. theta energy: -319.405 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: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -3710.009604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3710.009604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3710.009604 (E_RNA) where: Base-Base interactions energy: -2701.979 where: short stacking energy: -1050.079 Base-Backbone interact. energy: 1.451 local terms energy: -1009.481877 where: bonds (distance) C4'-P energy: -166.677 bonds (distance) P-C4' energy: -194.198 flat angles C4'-P-C4' energy: -216.515 flat angles P-C4'-P energy: -135.759 tors. eta vs tors. theta energy: -296.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -3542.444838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3542.444838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3542.444838 (E_RNA) where: Base-Base interactions energy: -2590.787 where: short stacking energy: -1006.308 Base-Backbone interact. energy: -1.825 local terms energy: -949.833320 where: bonds (distance) C4'-P energy: -155.001 bonds (distance) P-C4' energy: -159.367 flat angles C4'-P-C4' energy: -210.739 flat angles P-C4'-P energy: -137.427 tors. eta vs tors. theta energy: -287.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -3478.786159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3478.786159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3478.786159 (E_RNA) where: Base-Base interactions energy: -2531.419 where: short stacking energy: -975.685 Base-Backbone interact. energy: -2.007 local terms energy: -945.360052 where: bonds (distance) C4'-P energy: -154.236 bonds (distance) P-C4' energy: -174.385 flat angles C4'-P-C4' energy: -196.415 flat angles P-C4'-P energy: -132.370 tors. eta vs tors. theta energy: -287.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -3368.653495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.653495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.653495 (E_RNA) where: Base-Base interactions energy: -2472.390 where: short stacking energy: -954.741 Base-Backbone interact. energy: 1.631 local terms energy: -897.893999 where: bonds (distance) C4'-P energy: -160.011 bonds (distance) P-C4' energy: -160.065 flat angles C4'-P-C4' energy: -184.161 flat angles P-C4'-P energy: -121.001 tors. eta vs tors. theta energy: -272.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -3183.297354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.297354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.297354 (E_RNA) where: Base-Base interactions energy: -2289.964 where: short stacking energy: -899.059 Base-Backbone interact. energy: -1.727 local terms energy: -891.606494 where: bonds (distance) C4'-P energy: -160.203 bonds (distance) P-C4' energy: -158.970 flat angles C4'-P-C4' energy: -190.331 flat angles P-C4'-P energy: -123.006 tors. eta vs tors. theta energy: -259.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -3176.541829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.541829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.541829 (E_RNA) where: Base-Base interactions energy: -2294.320 where: short stacking energy: -897.712 Base-Backbone interact. energy: 4.603 local terms energy: -886.824770 where: bonds (distance) C4'-P energy: -148.801 bonds (distance) P-C4' energy: -137.960 flat angles C4'-P-C4' energy: -194.061 flat angles P-C4'-P energy: -132.590 tors. eta vs tors. theta energy: -273.412 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: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -2939.689080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.689080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.689080 (E_RNA) where: Base-Base interactions energy: -2099.354 where: short stacking energy: -797.192 Base-Backbone interact. energy: -3.423 local terms energy: -836.911762 where: bonds (distance) C4'-P energy: -142.919 bonds (distance) P-C4' energy: -152.699 flat angles C4'-P-C4' energy: -183.024 flat angles P-C4'-P energy: -129.227 tors. eta vs tors. theta energy: -229.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -2646.081976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.081976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.081976 (E_RNA) where: Base-Base interactions energy: -1880.624 where: short stacking energy: -751.111 Base-Backbone interact. energy: -1.265 local terms energy: -764.192663 where: bonds (distance) C4'-P energy: -141.425 bonds (distance) P-C4' energy: -129.938 flat angles C4'-P-C4' energy: -151.050 flat angles P-C4'-P energy: -124.546 tors. eta vs tors. theta energy: -217.235 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: 1, replica: 1 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3888.196539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3888.196539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3888.196539 (E_RNA) where: Base-Base interactions energy: -2808.524 where: short stacking energy: -1100.515 Base-Backbone interact. energy: -0.977 local terms energy: -1078.695208 where: bonds (distance) C4'-P energy: -196.885 bonds (distance) P-C4' energy: -185.091 flat angles C4'-P-C4' energy: -227.071 flat angles P-C4'-P energy: -152.805 tors. eta vs tors. theta energy: -316.843 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: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -3736.456494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3736.456494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3736.456494 (E_RNA) where: Base-Base interactions energy: -2709.113 where: short stacking energy: -1053.166 Base-Backbone interact. energy: -0.400 local terms energy: -1026.944415 where: bonds (distance) C4'-P energy: -185.005 bonds (distance) P-C4' energy: -185.625 flat angles C4'-P-C4' energy: -209.100 flat angles P-C4'-P energy: -136.816 tors. eta vs tors. theta energy: -310.399 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: 260 Temperature: 1.000000 Total energy: -3729.711292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3729.711292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3729.711292 (E_RNA) where: Base-Base interactions energy: -2728.038 where: short stacking energy: -1056.867 Base-Backbone interact. energy: 1.893 local terms energy: -1003.566499 where: bonds (distance) C4'-P energy: -171.769 bonds (distance) P-C4' energy: -169.595 flat angles C4'-P-C4' energy: -209.623 flat angles P-C4'-P energy: -147.364 tors. eta vs tors. theta energy: -305.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -3535.836910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3535.836910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3535.836910 (E_RNA) where: Base-Base interactions energy: -2583.993 where: short stacking energy: -1001.610 Base-Backbone interact. energy: 5.125 local terms energy: -956.968740 where: bonds (distance) C4'-P energy: -166.450 bonds (distance) P-C4' energy: -167.574 flat angles C4'-P-C4' energy: -205.772 flat angles P-C4'-P energy: -145.769 tors. eta vs tors. theta energy: -271.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -3484.829491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.829491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.829491 (E_RNA) where: Base-Base interactions energy: -2507.068 where: short stacking energy: -969.191 Base-Backbone interact. energy: -0.193 local terms energy: -977.569182 where: bonds (distance) C4'-P energy: -167.246 bonds (distance) P-C4' energy: -173.797 flat angles C4'-P-C4' energy: -197.006 flat angles P-C4'-P energy: -148.928 tors. eta vs tors. theta energy: -290.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -3404.197979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3404.197979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3404.197979 (E_RNA) where: Base-Base interactions energy: -2487.266 where: short stacking energy: -979.220 Base-Backbone interact. energy: -1.863 local terms energy: -915.068857 where: bonds (distance) C4'-P energy: -152.849 bonds (distance) P-C4' energy: -159.500 flat angles C4'-P-C4' energy: -199.420 flat angles P-C4'-P energy: -117.302 tors. eta vs tors. theta energy: -285.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -3155.860960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.860960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.860960 (E_RNA) where: Base-Base interactions energy: -2257.427 where: short stacking energy: -888.698 Base-Backbone interact. energy: 1.138 local terms energy: -899.571407 where: bonds (distance) C4'-P energy: -144.711 bonds (distance) P-C4' energy: -164.954 flat angles C4'-P-C4' energy: -211.546 flat angles P-C4'-P energy: -119.150 tors. eta vs tors. theta energy: -259.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -3073.137676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.137676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.137676 (E_RNA) where: Base-Base interactions energy: -2214.040 where: short stacking energy: -851.261 Base-Backbone interact. energy: 0.351 local terms energy: -859.448293 where: bonds (distance) C4'-P energy: -155.064 bonds (distance) P-C4' energy: -155.562 flat angles C4'-P-C4' energy: -192.525 flat angles P-C4'-P energy: -108.688 tors. eta vs tors. theta energy: -247.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -2833.823532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.823532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.823532 (E_RNA) where: Base-Base interactions energy: -2049.964 where: short stacking energy: -810.559 Base-Backbone interact. energy: 1.030 local terms energy: -784.889566 where: bonds (distance) C4'-P energy: -156.235 bonds (distance) P-C4' energy: -122.147 flat angles C4'-P-C4' energy: -174.438 flat angles P-C4'-P energy: -113.012 tors. eta vs tors. theta energy: -219.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -2602.716389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.716389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.716389 (E_RNA) where: Base-Base interactions energy: -1840.568 where: short stacking energy: -731.974 Base-Backbone interact. energy: -0.310 local terms energy: -761.838356 where: bonds (distance) C4'-P energy: -135.802 bonds (distance) P-C4' energy: -160.858 flat angles C4'-P-C4' energy: -172.181 flat angles P-C4'-P energy: -98.362 tors. eta vs tors. theta energy: -194.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3843.693835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3843.693835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3843.693835 (E_RNA) where: Base-Base interactions energy: -2807.735 where: short stacking energy: -1082.858 Base-Backbone interact. energy: -3.104 local terms energy: -1032.854604 where: bonds (distance) C4'-P energy: -182.407 bonds (distance) P-C4' energy: -177.708 flat angles C4'-P-C4' energy: -219.625 flat angles P-C4'-P energy: -137.305 tors. eta vs tors. theta energy: -315.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -3732.725926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3732.725926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3732.725926 (E_RNA) where: Base-Base interactions energy: -2702.925 where: short stacking energy: -1061.028 Base-Backbone interact. energy: -1.752 local terms energy: -1028.048778 where: bonds (distance) C4'-P energy: -181.761 bonds (distance) P-C4' energy: -189.399 flat angles C4'-P-C4' energy: -210.457 flat angles P-C4'-P energy: -131.237 tors. eta vs tors. theta energy: -315.194 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: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -3755.218908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.218908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.218908 (E_RNA) where: Base-Base interactions energy: -2726.594 where: short stacking energy: -1043.777 Base-Backbone interact. energy: -5.572 local terms energy: -1023.052966 where: bonds (distance) C4'-P energy: -170.244 bonds (distance) P-C4' energy: -179.955 flat angles C4'-P-C4' energy: -226.187 flat angles P-C4'-P energy: -140.448 tors. eta vs tors. theta energy: -306.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -3522.596231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3522.596231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3522.596231 (E_RNA) where: Base-Base interactions energy: -2539.155 where: short stacking energy: -990.472 Base-Backbone interact. energy: -2.109 local terms energy: -981.332519 where: bonds (distance) C4'-P energy: -166.222 bonds (distance) P-C4' energy: -183.931 flat angles C4'-P-C4' energy: -206.230 flat angles P-C4'-P energy: -139.346 tors. eta vs tors. theta energy: -285.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -3460.340272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3460.340272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3460.340272 (E_RNA) where: Base-Base interactions energy: -2480.021 where: short stacking energy: -972.963 Base-Backbone interact. energy: -1.909 local terms energy: -978.409952 where: bonds (distance) C4'-P energy: -182.069 bonds (distance) P-C4' energy: -151.070 flat angles C4'-P-C4' energy: -213.409 flat angles P-C4'-P energy: -144.292 tors. eta vs tors. theta energy: -287.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -3436.438463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3436.438463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3436.438463 (E_RNA) where: Base-Base interactions energy: -2526.770 where: short stacking energy: -962.990 Base-Backbone interact. energy: -1.269 local terms energy: -908.400005 where: bonds (distance) C4'-P energy: -161.442 bonds (distance) P-C4' energy: -156.611 flat angles C4'-P-C4' energy: -186.051 flat angles P-C4'-P energy: -117.202 tors. eta vs tors. theta energy: -287.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -3196.485087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.485087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.485087 (E_RNA) where: Base-Base interactions energy: -2340.197 where: short stacking energy: -918.491 Base-Backbone interact. energy: 1.696 local terms energy: -857.983878 where: bonds (distance) C4'-P energy: -118.884 bonds (distance) P-C4' energy: -164.668 flat angles C4'-P-C4' energy: -177.435 flat angles P-C4'-P energy: -125.525 tors. eta vs tors. theta energy: -271.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -3043.498468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.498468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.498468 (E_RNA) where: Base-Base interactions energy: -2200.193 where: short stacking energy: -863.999 Base-Backbone interact. energy: -1.680 local terms energy: -841.626228 where: bonds (distance) C4'-P energy: -140.144 bonds (distance) P-C4' energy: -148.116 flat angles C4'-P-C4' energy: -186.601 flat angles P-C4'-P energy: -124.115 tors. eta vs tors. theta energy: -242.650 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: 9, replica: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -2871.269579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.269579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.269579 (E_RNA) where: Base-Base interactions energy: -2075.282 where: short stacking energy: -810.520 Base-Backbone interact. energy: 0.086 local terms energy: -796.073631 where: bonds (distance) C4'-P energy: -132.795 bonds (distance) P-C4' energy: -147.878 flat angles C4'-P-C4' energy: -179.047 flat angles P-C4'-P energy: -110.793 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: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -2553.138481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.138481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.138481 (E_RNA) where: Base-Base interactions energy: -1822.313 where: short stacking energy: -734.911 Base-Backbone interact. energy: -3.143 local terms energy: -727.682211 where: bonds (distance) C4'-P energy: -133.892 bonds (distance) P-C4' energy: -134.881 flat angles C4'-P-C4' energy: -175.129 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -183.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3888.598191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3888.598191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3888.598191 (E_RNA) where: Base-Base interactions energy: -2838.912 where: short stacking energy: -1099.450 Base-Backbone interact. energy: 0.696 local terms energy: -1050.382062 where: bonds (distance) C4'-P energy: -193.374 bonds (distance) P-C4' energy: -178.378 flat angles C4'-P-C4' energy: -225.835 flat angles P-C4'-P energy: -135.114 tors. eta vs tors. theta energy: -317.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -3740.509411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3740.509411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3740.509411 (E_RNA) where: Base-Base interactions energy: -2718.232 where: short stacking energy: -1062.863 Base-Backbone interact. energy: 1.926 local terms energy: -1024.203673 where: bonds (distance) C4'-P energy: -157.340 bonds (distance) P-C4' energy: -192.153 flat angles C4'-P-C4' energy: -214.631 flat angles P-C4'-P energy: -141.680 tors. eta vs tors. theta energy: -318.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -3718.300839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3718.300839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3718.300839 (E_RNA) where: Base-Base interactions energy: -2731.341 where: short stacking energy: -1040.493 Base-Backbone interact. energy: 0.294 local terms energy: -987.253342 where: bonds (distance) C4'-P energy: -165.772 bonds (distance) P-C4' energy: -174.284 flat angles C4'-P-C4' energy: -210.558 flat angles P-C4'-P energy: -135.079 tors. eta vs tors. theta energy: -301.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -3552.877896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.877896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.877896 (E_RNA) where: Base-Base interactions energy: -2567.540 where: short stacking energy: -969.186 Base-Backbone interact. energy: 0.811 local terms energy: -986.149591 where: bonds (distance) C4'-P energy: -174.028 bonds (distance) P-C4' energy: -200.054 flat angles C4'-P-C4' energy: -205.865 flat angles P-C4'-P energy: -122.410 tors. eta vs tors. theta energy: -283.792 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: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -3451.773258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3451.773258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3451.773258 (E_RNA) where: Base-Base interactions energy: -2497.512 where: short stacking energy: -986.869 Base-Backbone interact. energy: 0.595 local terms energy: -954.855807 where: bonds (distance) C4'-P energy: -166.918 bonds (distance) P-C4' energy: -157.962 flat angles C4'-P-C4' energy: -208.161 flat angles P-C4'-P energy: -134.855 tors. eta vs tors. theta energy: -286.960 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: 10 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -3401.059059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3401.059059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3401.059059 (E_RNA) where: Base-Base interactions energy: -2507.974 where: short stacking energy: -976.243 Base-Backbone interact. energy: -0.417 local terms energy: -892.668356 where: bonds (distance) C4'-P energy: -143.110 bonds (distance) P-C4' energy: -163.035 flat angles C4'-P-C4' energy: -201.897 flat angles P-C4'-P energy: -112.168 tors. eta vs tors. theta energy: -272.457 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: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -3240.382518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.382518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.382518 (E_RNA) where: Base-Base interactions energy: -2339.563 where: short stacking energy: -914.806 Base-Backbone interact. energy: 2.014 local terms energy: -902.833589 where: bonds (distance) C4'-P energy: -130.982 bonds (distance) P-C4' energy: -159.029 flat angles C4'-P-C4' energy: -193.801 flat angles P-C4'-P energy: -138.834 tors. eta vs tors. theta energy: -280.188 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: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -3079.688621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.688621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.688621 (E_RNA) where: Base-Base interactions energy: -2225.344 where: short stacking energy: -875.173 Base-Backbone interact. energy: 1.021 local terms energy: -855.365902 where: bonds (distance) C4'-P energy: -130.646 bonds (distance) P-C4' energy: -149.469 flat angles C4'-P-C4' energy: -186.591 flat angles P-C4'-P energy: -127.465 tors. eta vs tors. theta energy: -261.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -2876.661244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.661244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.661244 (E_RNA) where: Base-Base interactions energy: -2100.420 where: short stacking energy: -837.879 Base-Backbone interact. energy: 1.197 local terms energy: -777.438253 where: bonds (distance) C4'-P energy: -110.203 bonds (distance) P-C4' energy: -133.292 flat angles C4'-P-C4' energy: -171.949 flat angles P-C4'-P energy: -131.094 tors. eta vs tors. theta energy: -230.900 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: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -2585.172527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.172527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.172527 (E_RNA) where: Base-Base interactions energy: -1803.653 where: short stacking energy: -752.473 Base-Backbone interact. energy: -0.477 local terms energy: -781.042739 where: bonds (distance) C4'-P energy: -150.797 bonds (distance) P-C4' energy: -139.385 flat angles C4'-P-C4' energy: -170.812 flat angles P-C4'-P energy: -114.737 tors. eta vs tors. theta energy: -205.312 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: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3885.599708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3885.599708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3885.599708 (E_RNA) where: Base-Base interactions energy: -2827.712 where: short stacking energy: -1090.655 Base-Backbone interact. energy: -4.754 local terms energy: -1053.133601 where: bonds (distance) C4'-P energy: -173.023 bonds (distance) P-C4' energy: -188.506 flat angles C4'-P-C4' energy: -230.772 flat angles P-C4'-P energy: -145.802 tors. eta vs tors. theta energy: -315.030 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: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -3735.792112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3735.792112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3735.792112 (E_RNA) where: Base-Base interactions energy: -2705.868 where: short stacking energy: -1043.850 Base-Backbone interact. energy: -0.157 local terms energy: -1029.767088 where: bonds (distance) C4'-P energy: -178.271 bonds (distance) P-C4' energy: -171.196 flat angles C4'-P-C4' energy: -218.717 flat angles P-C4'-P energy: -153.070 tors. eta vs tors. theta energy: -308.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -3746.134095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3746.134095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3746.134095 (E_RNA) where: Base-Base interactions energy: -2737.553 where: short stacking energy: -1081.357 Base-Backbone interact. energy: -5.132 local terms energy: -1003.449294 where: bonds (distance) C4'-P energy: -170.707 bonds (distance) P-C4' energy: -178.189 flat angles C4'-P-C4' energy: -216.171 flat angles P-C4'-P energy: -133.216 tors. eta vs tors. theta energy: -305.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -3548.458349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3548.458349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3548.458349 (E_RNA) where: Base-Base interactions energy: -2546.718 where: short stacking energy: -964.757 Base-Backbone interact. energy: -3.154 local terms energy: -998.587023 where: bonds (distance) C4'-P energy: -179.684 bonds (distance) P-C4' energy: -183.772 flat angles C4'-P-C4' energy: -210.173 flat angles P-C4'-P energy: -143.715 tors. eta vs tors. theta energy: -281.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -3467.706693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.706693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.706693 (E_RNA) where: Base-Base interactions energy: -2508.063 where: short stacking energy: -986.372 Base-Backbone interact. energy: 8.443 local terms energy: -968.086864 where: bonds (distance) C4'-P energy: -166.032 bonds (distance) P-C4' energy: -150.663 flat angles C4'-P-C4' energy: -220.596 flat angles P-C4'-P energy: -148.528 tors. eta vs tors. theta energy: -282.268 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: 10 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -3416.040431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3416.040431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3416.040431 (E_RNA) where: Base-Base interactions energy: -2508.366 where: short stacking energy: -958.020 Base-Backbone interact. energy: 1.900 local terms energy: -909.573476 where: bonds (distance) C4'-P energy: -154.964 bonds (distance) P-C4' energy: -188.587 flat angles C4'-P-C4' energy: -173.196 flat angles P-C4'-P energy: -120.252 tors. eta vs tors. theta energy: -272.574 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: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -3233.701596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.701596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.701596 (E_RNA) where: Base-Base interactions energy: -2341.756 where: short stacking energy: -925.224 Base-Backbone interact. energy: 5.614 local terms energy: -897.559261 where: bonds (distance) C4'-P energy: -162.518 bonds (distance) P-C4' energy: -155.359 flat angles C4'-P-C4' energy: -191.257 flat angles P-C4'-P energy: -123.446 tors. eta vs tors. theta energy: -264.979 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: 9 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -3150.810929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.810929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.810929 (E_RNA) where: Base-Base interactions energy: -2275.585 where: short stacking energy: -891.958 Base-Backbone interact. energy: 1.236 local terms energy: -876.462111 where: bonds (distance) C4'-P energy: -155.983 bonds (distance) P-C4' energy: -147.157 flat angles C4'-P-C4' energy: -186.859 flat angles P-C4'-P energy: -119.965 tors. eta vs tors. theta energy: -266.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -2875.026437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.026437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.026437 (E_RNA) where: Base-Base interactions energy: -2090.061 where: short stacking energy: -812.166 Base-Backbone interact. energy: 0.345 local terms energy: -785.311117 where: bonds (distance) C4'-P energy: -142.345 bonds (distance) P-C4' energy: -125.445 flat angles C4'-P-C4' energy: -186.259 flat angles P-C4'-P energy: -103.139 tors. eta vs tors. theta energy: -228.123 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: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -2593.841100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.841100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.841100 (E_RNA) where: Base-Base interactions energy: -1855.750 where: short stacking energy: -732.820 Base-Backbone interact. energy: -3.342 local terms energy: -734.749482 where: bonds (distance) C4'-P energy: -138.356 bonds (distance) P-C4' energy: -137.649 flat angles C4'-P-C4' energy: -157.142 flat angles P-C4'-P energy: -108.967 tors. eta vs tors. theta energy: -192.635 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: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3875.568277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3875.568277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3875.568277 (E_RNA) where: Base-Base interactions energy: -2809.684 where: short stacking energy: -1088.339 Base-Backbone interact. energy: -4.580 local terms energy: -1061.304255 where: bonds (distance) C4'-P energy: -180.724 bonds (distance) P-C4' energy: -190.298 flat angles C4'-P-C4' energy: -229.802 flat angles P-C4'-P energy: -140.172 tors. eta vs tors. theta energy: -320.308 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: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -3706.716046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3706.716046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3706.716046 (E_RNA) where: Base-Base interactions energy: -2683.866 where: short stacking energy: -1051.987 Base-Backbone interact. energy: -0.193 local terms energy: -1022.657800 where: bonds (distance) C4'-P energy: -180.904 bonds (distance) P-C4' energy: -181.652 flat angles C4'-P-C4' energy: -216.110 flat angles P-C4'-P energy: -139.889 tors. eta vs tors. theta energy: -304.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -3738.344392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3738.344392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3738.344392 (E_RNA) where: Base-Base interactions energy: -2752.960 where: short stacking energy: -1078.373 Base-Backbone interact. energy: -2.292 local terms energy: -983.092478 where: bonds (distance) C4'-P energy: -160.365 bonds (distance) P-C4' energy: -159.389 flat angles C4'-P-C4' energy: -215.510 flat angles P-C4'-P energy: -145.527 tors. eta vs tors. theta energy: -302.301 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: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -3573.053128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3573.053128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3573.053128 (E_RNA) where: Base-Base interactions energy: -2615.628 where: short stacking energy: -1006.613 Base-Backbone interact. energy: -0.809 local terms energy: -956.616591 where: bonds (distance) C4'-P energy: -145.523 bonds (distance) P-C4' energy: -163.762 flat angles C4'-P-C4' energy: -214.754 flat angles P-C4'-P energy: -145.931 tors. eta vs tors. theta energy: -286.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -3464.852706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.852706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.852706 (E_RNA) where: Base-Base interactions energy: -2495.934 where: short stacking energy: -954.860 Base-Backbone interact. energy: 0.158 local terms energy: -969.076843 where: bonds (distance) C4'-P energy: -164.333 bonds (distance) P-C4' energy: -171.143 flat angles C4'-P-C4' energy: -214.090 flat angles P-C4'-P energy: -145.070 tors. eta vs tors. theta energy: -274.441 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: 6, replica: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -3404.474402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3404.474402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3404.474402 (E_RNA) where: Base-Base interactions energy: -2474.795 where: short stacking energy: -936.968 Base-Backbone interact. energy: 0.139 local terms energy: -929.818222 where: bonds (distance) C4'-P energy: -146.789 bonds (distance) P-C4' energy: -159.976 flat angles C4'-P-C4' energy: -203.448 flat angles P-C4'-P energy: -153.605 tors. eta vs tors. theta energy: -265.999 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: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -3222.360927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.360927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.360927 (E_RNA) where: Base-Base interactions energy: -2346.182 where: short stacking energy: -922.362 Base-Backbone interact. energy: 1.178 local terms energy: -877.356966 where: bonds (distance) C4'-P energy: -110.825 bonds (distance) P-C4' energy: -167.586 flat angles C4'-P-C4' energy: -194.129 flat angles P-C4'-P energy: -134.195 tors. eta vs tors. theta energy: -270.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -3116.892594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.892594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.892594 (E_RNA) where: Base-Base interactions energy: -2261.176 where: short stacking energy: -882.749 Base-Backbone interact. energy: -0.808 local terms energy: -854.909167 where: bonds (distance) C4'-P energy: -157.597 bonds (distance) P-C4' energy: -145.609 flat angles C4'-P-C4' energy: -187.860 flat angles P-C4'-P energy: -117.456 tors. eta vs tors. theta energy: -246.386 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: 7 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -2951.180813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.180813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.180813 (E_RNA) where: Base-Base interactions energy: -2132.791 where: short stacking energy: -820.601 Base-Backbone interact. energy: 5.815 local terms energy: -824.205003 where: bonds (distance) C4'-P energy: -165.947 bonds (distance) P-C4' energy: -140.869 flat angles C4'-P-C4' energy: -174.630 flat angles P-C4'-P energy: -107.574 tors. eta vs tors. theta energy: -235.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -2586.736674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.736674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.736674 (E_RNA) where: Base-Base interactions energy: -1827.448 where: short stacking energy: -710.359 Base-Backbone interact. energy: -5.959 local terms energy: -753.329811 where: bonds (distance) C4'-P energy: -150.638 bonds (distance) P-C4' energy: -147.026 flat angles C4'-P-C4' energy: -162.864 flat angles P-C4'-P energy: -106.018 tors. eta vs tors. theta energy: -186.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3859.842753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3859.842753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3859.842753 (E_RNA) where: Base-Base interactions energy: -2805.050 where: short stacking energy: -1096.954 Base-Backbone interact. energy: -4.070 local terms energy: -1050.722974 where: bonds (distance) C4'-P energy: -179.701 bonds (distance) P-C4' energy: -188.016 flat angles C4'-P-C4' energy: -223.899 flat angles P-C4'-P energy: -143.671 tors. eta vs tors. theta energy: -315.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -3802.924696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3802.924696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3802.924696 (E_RNA) where: Base-Base interactions energy: -2778.930 where: short stacking energy: -1073.592 Base-Backbone interact. energy: -2.486 local terms energy: -1021.509405 where: bonds (distance) C4'-P energy: -178.339 bonds (distance) P-C4' energy: -175.170 flat angles C4'-P-C4' energy: -204.125 flat angles P-C4'-P energy: -153.845 tors. eta vs tors. theta energy: -310.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -3662.945713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3662.945713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3662.945713 (E_RNA) where: Base-Base interactions energy: -2659.773 where: short stacking energy: -1021.665 Base-Backbone interact. energy: -1.748 local terms energy: -1001.424400 where: bonds (distance) C4'-P energy: -181.521 bonds (distance) P-C4' energy: -167.017 flat angles C4'-P-C4' energy: -199.433 flat angles P-C4'-P energy: -154.113 tors. eta vs tors. theta energy: -299.341 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: 4, replica: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -3574.963063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3574.963063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3574.963063 (E_RNA) where: Base-Base interactions energy: -2599.388 where: short stacking energy: -1010.855 Base-Backbone interact. energy: -1.373 local terms energy: -974.201830 where: bonds (distance) C4'-P energy: -165.432 bonds (distance) P-C4' energy: -179.732 flat angles C4'-P-C4' energy: -210.516 flat angles P-C4'-P energy: -131.768 tors. eta vs tors. theta energy: -286.753 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: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -3504.547983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3504.547983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3504.547983 (E_RNA) where: Base-Base interactions energy: -2539.569 where: short stacking energy: -979.441 Base-Backbone interact. energy: 2.562 local terms energy: -967.540964 where: bonds (distance) C4'-P energy: -165.656 bonds (distance) P-C4' energy: -169.958 flat angles C4'-P-C4' energy: -208.726 flat angles P-C4'-P energy: -132.944 tors. eta vs tors. theta energy: -290.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -3408.424085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3408.424085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3408.424085 (E_RNA) where: Base-Base interactions energy: -2497.624 where: short stacking energy: -968.467 Base-Backbone interact. energy: -0.343 local terms energy: -910.456746 where: bonds (distance) C4'-P energy: -133.405 bonds (distance) P-C4' energy: -169.262 flat angles C4'-P-C4' energy: -199.706 flat angles P-C4'-P energy: -124.657 tors. eta vs tors. theta energy: -283.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -3182.647749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.647749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.647749 (E_RNA) where: Base-Base interactions energy: -2281.474 where: short stacking energy: -876.003 Base-Backbone interact. energy: -0.247 local terms energy: -900.926068 where: bonds (distance) C4'-P energy: -151.956 bonds (distance) P-C4' energy: -150.306 flat angles C4'-P-C4' energy: -201.891 flat angles P-C4'-P energy: -126.470 tors. eta vs tors. theta energy: -270.303 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: 265 Temperature: 1.250000 Total energy: -3090.668498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.668498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.668498 (E_RNA) where: Base-Base interactions energy: -2228.315 where: short stacking energy: -867.363 Base-Backbone interact. energy: 0.915 local terms energy: -863.268179 where: bonds (distance) C4'-P energy: -147.217 bonds (distance) P-C4' energy: -159.338 flat angles C4'-P-C4' energy: -179.638 flat angles P-C4'-P energy: -121.674 tors. eta vs tors. theta energy: -255.402 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -2947.686335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.686335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.686335 (E_RNA) where: Base-Base interactions energy: -2124.118 where: short stacking energy: -833.119 Base-Backbone interact. energy: -0.725 local terms energy: -822.842986 where: bonds (distance) C4'-P energy: -130.023 bonds (distance) P-C4' energy: -148.474 flat angles C4'-P-C4' energy: -182.224 flat angles P-C4'-P energy: -114.477 tors. eta vs tors. theta energy: -247.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -2595.572837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.572837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.572837 (E_RNA) where: Base-Base interactions energy: -1907.084 where: short stacking energy: -744.112 Base-Backbone interact. energy: -1.992 local terms energy: -686.496073 where: bonds (distance) C4'-P energy: -117.469 bonds (distance) P-C4' energy: -122.175 flat angles C4'-P-C4' energy: -173.857 flat angles P-C4'-P energy: -86.745 tors. eta vs tors. theta energy: -186.249 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: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3865.937090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3865.937090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3865.937090 (E_RNA) where: Base-Base interactions energy: -2810.227 where: short stacking energy: -1095.246 Base-Backbone interact. energy: -2.266 local terms energy: -1053.444452 where: bonds (distance) C4'-P energy: -181.301 bonds (distance) P-C4' energy: -191.896 flat angles C4'-P-C4' energy: -213.431 flat angles P-C4'-P energy: -151.142 tors. eta vs tors. theta energy: -315.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -3796.047049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3796.047049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3796.047049 (E_RNA) where: Base-Base interactions energy: -2779.501 where: short stacking energy: -1074.207 Base-Backbone interact. energy: 1.434 local terms energy: -1017.980576 where: bonds (distance) C4'-P energy: -174.825 bonds (distance) P-C4' energy: -167.890 flat angles C4'-P-C4' energy: -219.829 flat angles P-C4'-P energy: -143.016 tors. eta vs tors. theta energy: -312.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -3623.209366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3623.209366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3623.209366 (E_RNA) where: Base-Base interactions energy: -2611.188 where: short stacking energy: -997.449 Base-Backbone interact. energy: -1.963 local terms energy: -1010.058613 where: bonds (distance) C4'-P energy: -177.299 bonds (distance) P-C4' energy: -187.282 flat angles C4'-P-C4' energy: -199.509 flat angles P-C4'-P energy: -148.444 tors. eta vs tors. theta energy: -297.525 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: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -3552.987732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.987732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.987732 (E_RNA) where: Base-Base interactions energy: -2580.301 where: short stacking energy: -998.756 Base-Backbone interact. energy: -2.009 local terms energy: -970.677365 where: bonds (distance) C4'-P energy: -187.777 bonds (distance) P-C4' energy: -157.094 flat angles C4'-P-C4' energy: -199.082 flat angles P-C4'-P energy: -145.219 tors. eta vs tors. theta energy: -281.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -3504.431333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3504.431333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3504.431333 (E_RNA) where: Base-Base interactions energy: -2570.139 where: short stacking energy: -990.884 Base-Backbone interact. energy: -0.572 local terms energy: -933.720216 where: bonds (distance) C4'-P energy: -144.821 bonds (distance) P-C4' energy: -175.532 flat angles C4'-P-C4' energy: -200.222 flat angles P-C4'-P energy: -135.498 tors. eta vs tors. theta energy: -277.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -3411.085132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3411.085132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3411.085132 (E_RNA) where: Base-Base interactions energy: -2453.298 where: short stacking energy: -942.067 Base-Backbone interact. energy: -1.040 local terms energy: -956.746730 where: bonds (distance) C4'-P energy: -177.802 bonds (distance) P-C4' energy: -175.067 flat angles C4'-P-C4' energy: -201.180 flat angles P-C4'-P energy: -138.135 tors. eta vs tors. theta energy: -264.562 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: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -3215.174382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.174382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.174382 (E_RNA) where: Base-Base interactions energy: -2322.319 where: short stacking energy: -912.047 Base-Backbone interact. energy: -1.294 local terms energy: -891.561068 where: bonds (distance) C4'-P energy: -163.982 bonds (distance) P-C4' energy: -156.208 flat angles C4'-P-C4' energy: -175.889 flat angles P-C4'-P energy: -131.109 tors. eta vs tors. theta energy: -264.373 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: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -3125.477128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.477128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.477128 (E_RNA) where: Base-Base interactions energy: -2293.390 where: short stacking energy: -892.169 Base-Backbone interact. energy: -2.013 local terms energy: -830.073648 where: bonds (distance) C4'-P energy: -143.631 bonds (distance) P-C4' energy: -130.671 flat angles C4'-P-C4' energy: -184.199 flat angles P-C4'-P energy: -114.017 tors. eta vs tors. theta energy: -257.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -2948.739958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.739958 (E_RNA) where: Base-Base interactions energy: -2148.372 where: short stacking energy: -851.345 Base-Backbone interact. energy: -0.711 local terms energy: -799.656927 where: bonds (distance) C4'-P energy: -115.211 bonds (distance) P-C4' energy: -145.451 flat angles C4'-P-C4' energy: -169.998 flat angles P-C4'-P energy: -121.584 tors. eta vs tors. theta energy: -247.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -2650.338273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.338273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.338273 (E_RNA) where: Base-Base interactions energy: -1897.954 where: short stacking energy: -733.548 Base-Backbone interact. energy: -2.162 local terms energy: -750.222142 where: bonds (distance) C4'-P energy: -164.904 bonds (distance) P-C4' energy: -128.256 flat angles C4'-P-C4' energy: -162.913 flat angles P-C4'-P energy: -83.034 tors. eta vs tors. theta energy: -211.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3858.095104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3858.095104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3858.095104 (E_RNA) where: Base-Base interactions energy: -2794.318 where: short stacking energy: -1086.036 Base-Backbone interact. energy: -0.459 local terms energy: -1063.318244 where: bonds (distance) C4'-P energy: -184.677 bonds (distance) P-C4' energy: -193.942 flat angles C4'-P-C4' energy: -232.997 flat angles P-C4'-P energy: -142.163 tors. eta vs tors. theta energy: -309.540 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: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -3790.845808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.845808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.845808 (E_RNA) where: Base-Base interactions energy: -2770.467 where: short stacking energy: -1085.625 Base-Backbone interact. energy: -2.766 local terms energy: -1017.613278 where: bonds (distance) C4'-P energy: -164.482 bonds (distance) P-C4' energy: -177.263 flat angles C4'-P-C4' energy: -212.856 flat angles P-C4'-P energy: -144.020 tors. eta vs tors. theta energy: -318.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -3650.985242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.985242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.985242 (E_RNA) where: Base-Base interactions energy: -2650.688 where: short stacking energy: -1028.092 Base-Backbone interact. energy: 1.112 local terms energy: -1001.409853 where: bonds (distance) C4'-P energy: -161.024 bonds (distance) P-C4' energy: -173.718 flat angles C4'-P-C4' energy: -202.636 flat angles P-C4'-P energy: -156.063 tors. eta vs tors. theta energy: -307.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -3570.718406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.718406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.718406 (E_RNA) where: Base-Base interactions energy: -2592.155 where: short stacking energy: -993.782 Base-Backbone interact. energy: -0.322 local terms energy: -978.241060 where: bonds (distance) C4'-P energy: -179.469 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -212.162 flat angles P-C4'-P energy: -143.641 tors. eta vs tors. theta energy: -285.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -3534.531075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3534.531075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3534.531075 (E_RNA) where: Base-Base interactions energy: -2569.273 where: short stacking energy: -986.094 Base-Backbone interact. energy: -0.812 local terms energy: -964.446028 where: bonds (distance) C4'-P energy: -155.906 bonds (distance) P-C4' energy: -171.316 flat angles C4'-P-C4' energy: -205.195 flat angles P-C4'-P energy: -145.431 tors. eta vs tors. theta energy: -286.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -3387.993204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.993204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.993204 (E_RNA) where: Base-Base interactions energy: -2468.854 where: short stacking energy: -941.150 Base-Backbone interact. energy: -4.866 local terms energy: -914.273751 where: bonds (distance) C4'-P energy: -149.863 bonds (distance) P-C4' energy: -163.271 flat angles C4'-P-C4' energy: -197.741 flat angles P-C4'-P energy: -129.169 tors. eta vs tors. theta energy: -274.231 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: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -3230.914800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.914800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.914800 (E_RNA) where: Base-Base interactions energy: -2353.988 where: short stacking energy: -927.088 Base-Backbone interact. energy: -0.598 local terms energy: -876.328745 where: bonds (distance) C4'-P energy: -161.330 bonds (distance) P-C4' energy: -139.733 flat angles C4'-P-C4' energy: -177.319 flat angles P-C4'-P energy: -137.030 tors. eta vs tors. theta energy: -260.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -3148.008534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.008534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.008534 (E_RNA) where: Base-Base interactions energy: -2287.556 where: short stacking energy: -889.261 Base-Backbone interact. energy: -3.074 local terms energy: -857.378719 where: bonds (distance) C4'-P energy: -144.164 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -171.299 flat angles P-C4'-P energy: -140.945 tors. eta vs tors. theta energy: -262.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -2970.535073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.535073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.535073 (E_RNA) where: Base-Base interactions energy: -2139.529 where: short stacking energy: -822.993 Base-Backbone interact. energy: 2.900 local terms energy: -833.905759 where: bonds (distance) C4'-P energy: -142.928 bonds (distance) P-C4' energy: -137.323 flat angles C4'-P-C4' energy: -178.371 flat angles P-C4'-P energy: -134.526 tors. eta vs tors. theta energy: -240.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -2493.570996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.570996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.570996 (E_RNA) where: Base-Base interactions energy: -1764.316 where: short stacking energy: -692.892 Base-Backbone interact. energy: -0.012 local terms energy: -729.243044 where: bonds (distance) C4'-P energy: -139.456 bonds (distance) P-C4' energy: -125.619 flat angles C4'-P-C4' energy: -175.226 flat angles P-C4'-P energy: -98.241 tors. eta vs tors. theta energy: -190.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3870.244305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3870.244305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3870.244305 (E_RNA) where: Base-Base interactions energy: -2831.126 where: short stacking energy: -1091.608 Base-Backbone interact. energy: 1.218 local terms energy: -1040.335964 where: bonds (distance) C4'-P energy: -181.658 bonds (distance) P-C4' energy: -188.137 flat angles C4'-P-C4' energy: -217.058 flat angles P-C4'-P energy: -147.970 tors. eta vs tors. theta energy: -305.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -3792.293447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3792.293447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3792.293447 (E_RNA) where: Base-Base interactions energy: -2750.860 where: short stacking energy: -1073.606 Base-Backbone interact. energy: -1.353 local terms energy: -1040.080968 where: bonds (distance) C4'-P energy: -181.161 bonds (distance) P-C4' energy: -193.864 flat angles C4'-P-C4' energy: -215.488 flat angles P-C4'-P energy: -141.887 tors. eta vs tors. theta energy: -307.681 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: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -3656.794858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.794858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.794858 (E_RNA) where: Base-Base interactions energy: -2646.656 where: short stacking energy: -1037.396 Base-Backbone interact. energy: -2.268 local terms energy: -1007.870699 where: bonds (distance) C4'-P energy: -188.640 bonds (distance) P-C4' energy: -173.982 flat angles C4'-P-C4' energy: -203.204 flat angles P-C4'-P energy: -139.548 tors. eta vs tors. theta energy: -302.497 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: 268 Temperature: 1.050000 Total energy: -3540.368116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3540.368116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3540.368116 (E_RNA) where: Base-Base interactions energy: -2564.736 where: short stacking energy: -1001.464 Base-Backbone interact. energy: 0.769 local terms energy: -976.400595 where: bonds (distance) C4'-P energy: -161.576 bonds (distance) P-C4' energy: -183.230 flat angles C4'-P-C4' energy: -214.667 flat angles P-C4'-P energy: -128.938 tors. eta vs tors. theta energy: -287.990 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: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -3506.491937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3506.491937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3506.491937 (E_RNA) where: Base-Base interactions energy: -2525.139 where: short stacking energy: -982.447 Base-Backbone interact. energy: 0.815 local terms energy: -982.168127 where: bonds (distance) C4'-P energy: -168.206 bonds (distance) P-C4' energy: -165.773 flat angles C4'-P-C4' energy: -212.992 flat angles P-C4'-P energy: -148.813 tors. eta vs tors. theta energy: -286.383 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: 6, replica: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -3435.845303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.845303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.845303 (E_RNA) where: Base-Base interactions energy: -2509.346 where: short stacking energy: -963.902 Base-Backbone interact. energy: -3.336 local terms energy: -923.163250 where: bonds (distance) C4'-P energy: -144.329 bonds (distance) P-C4' energy: -165.461 flat angles C4'-P-C4' energy: -195.751 flat angles P-C4'-P energy: -132.469 tors. eta vs tors. theta energy: -285.152 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: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -3225.973506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.973506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.973506 (E_RNA) where: Base-Base interactions energy: -2326.928 where: short stacking energy: -900.374 Base-Backbone interact. energy: 0.957 local terms energy: -900.002222 where: bonds (distance) C4'-P energy: -158.282 bonds (distance) P-C4' energy: -161.245 flat angles C4'-P-C4' energy: -195.103 flat angles P-C4'-P energy: -113.452 tors. eta vs tors. theta energy: -271.919 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: 268 Temperature: 1.250000 Total energy: -3126.988164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.988164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.988164 (E_RNA) where: Base-Base interactions energy: -2253.669 where: short stacking energy: -884.186 Base-Backbone interact. energy: 2.196 local terms energy: -875.515073 where: bonds (distance) C4'-P energy: -149.083 bonds (distance) P-C4' energy: -155.407 flat angles C4'-P-C4' energy: -187.736 flat angles P-C4'-P energy: -122.001 tors. eta vs tors. theta energy: -261.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -2938.742022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.742022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.742022 (E_RNA) where: Base-Base interactions energy: -2126.257 where: short stacking energy: -818.222 Base-Backbone interact. energy: -1.963 local terms energy: -810.522518 where: bonds (distance) C4'-P energy: -146.413 bonds (distance) P-C4' energy: -161.471 flat angles C4'-P-C4' energy: -162.117 flat angles P-C4'-P energy: -95.155 tors. eta vs tors. theta energy: -245.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -2518.259074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.259074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.259074 (E_RNA) where: Base-Base interactions energy: -1777.710 where: short stacking energy: -707.402 Base-Backbone interact. energy: 3.741 local terms energy: -744.290092 where: bonds (distance) C4'-P energy: -154.555 bonds (distance) P-C4' energy: -130.823 flat angles C4'-P-C4' energy: -173.177 flat angles P-C4'-P energy: -93.435 tors. eta vs tors. theta energy: -192.300 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: 269 Temperature: 0.900000 Total energy: -3862.264124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3862.264124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3862.264124 (E_RNA) where: Base-Base interactions energy: -2819.943 where: short stacking energy: -1108.851 Base-Backbone interact. energy: -2.306 local terms energy: -1040.014574 where: bonds (distance) C4'-P energy: -166.247 bonds (distance) P-C4' energy: -180.866 flat angles C4'-P-C4' energy: -211.770 flat angles P-C4'-P energy: -163.701 tors. eta vs tors. theta energy: -317.431 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: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -3806.717774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3806.717774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3806.717774 (E_RNA) where: Base-Base interactions energy: -2772.062 where: short stacking energy: -1072.279 Base-Backbone interact. energy: -3.005 local terms energy: -1031.650992 where: bonds (distance) C4'-P energy: -173.626 bonds (distance) P-C4' energy: -184.395 flat angles C4'-P-C4' energy: -217.205 flat angles P-C4'-P energy: -141.123 tors. eta vs tors. theta energy: -315.303 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: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -3677.416561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3677.416561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3677.416561 (E_RNA) where: Base-Base interactions energy: -2642.202 where: short stacking energy: -1030.978 Base-Backbone interact. energy: -1.495 local terms energy: -1033.719532 where: bonds (distance) C4'-P energy: -175.545 bonds (distance) P-C4' energy: -179.674 flat angles C4'-P-C4' energy: -216.511 flat angles P-C4'-P energy: -156.311 tors. eta vs tors. theta energy: -305.679 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: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -3572.629108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3572.629108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3572.629108 (E_RNA) where: Base-Base interactions energy: -2605.662 where: short stacking energy: -1004.402 Base-Backbone interact. energy: 1.269 local terms energy: -968.235435 where: bonds (distance) C4'-P energy: -159.456 bonds (distance) P-C4' energy: -161.861 flat angles C4'-P-C4' energy: -216.234 flat angles P-C4'-P energy: -137.737 tors. eta vs tors. theta energy: -292.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -3496.045037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3496.045037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3496.045037 (E_RNA) where: Base-Base interactions energy: -2547.525 where: short stacking energy: -970.863 Base-Backbone interact. energy: -0.926 local terms energy: -947.594368 where: bonds (distance) C4'-P energy: -163.178 bonds (distance) P-C4' energy: -167.280 flat angles C4'-P-C4' energy: -204.937 flat angles P-C4'-P energy: -131.651 tors. eta vs tors. theta energy: -280.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -3412.985918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3412.985918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3412.985918 (E_RNA) where: Base-Base interactions energy: -2504.625 where: short stacking energy: -988.315 Base-Backbone interact. energy: -1.510 local terms energy: -906.850157 where: bonds (distance) C4'-P energy: -145.043 bonds (distance) P-C4' energy: -147.646 flat angles C4'-P-C4' energy: -193.283 flat angles P-C4'-P energy: -134.047 tors. eta vs tors. theta energy: -286.831 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: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -3203.025127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.025127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.025127 (E_RNA) where: Base-Base interactions energy: -2318.560 where: short stacking energy: -910.221 Base-Backbone interact. energy: -1.612 local terms energy: -882.853355 where: bonds (distance) C4'-P energy: -153.697 bonds (distance) P-C4' energy: -145.944 flat angles C4'-P-C4' energy: -192.186 flat angles P-C4'-P energy: -118.596 tors. eta vs tors. theta energy: -272.430 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: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -3128.259699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.259699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.259699 (E_RNA) where: Base-Base interactions energy: -2270.207 where: short stacking energy: -895.622 Base-Backbone interact. energy: 0.163 local terms energy: -858.216348 where: bonds (distance) C4'-P energy: -154.240 bonds (distance) P-C4' energy: -152.814 flat angles C4'-P-C4' energy: -187.822 flat angles P-C4'-P energy: -109.168 tors. eta vs tors. theta energy: -254.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -2917.922289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.922289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.922289 (E_RNA) where: Base-Base interactions energy: -2145.218 where: short stacking energy: -838.879 Base-Backbone interact. energy: 1.820 local terms energy: -774.525017 where: bonds (distance) C4'-P energy: -126.591 bonds (distance) P-C4' energy: -138.756 flat angles C4'-P-C4' energy: -185.543 flat angles P-C4'-P energy: -107.854 tors. eta vs tors. theta energy: -215.781 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: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -2518.563034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.563034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.563034 (E_RNA) where: Base-Base interactions energy: -1794.445 where: short stacking energy: -712.353 Base-Backbone interact. energy: 1.500 local terms energy: -725.618262 where: bonds (distance) C4'-P energy: -139.600 bonds (distance) P-C4' energy: -159.043 flat angles C4'-P-C4' energy: -164.170 flat angles P-C4'-P energy: -78.765 tors. eta vs tors. theta energy: -184.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3858.682194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3858.682194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3858.682194 (E_RNA) where: Base-Base interactions energy: -2791.181 where: short stacking energy: -1065.745 Base-Backbone interact. energy: -3.019 local terms energy: -1064.482428 where: bonds (distance) C4'-P energy: -183.045 bonds (distance) P-C4' energy: -192.659 flat angles C4'-P-C4' energy: -222.509 flat angles P-C4'-P energy: -155.634 tors. eta vs tors. theta energy: -310.634 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: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -3783.950694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3783.950694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3783.950694 (E_RNA) where: Base-Base interactions energy: -2717.423 where: short stacking energy: -1064.268 Base-Backbone interact. energy: -4.209 local terms energy: -1062.317873 where: bonds (distance) C4'-P energy: -199.537 bonds (distance) P-C4' energy: -181.456 flat angles C4'-P-C4' energy: -218.145 flat angles P-C4'-P energy: -148.116 tors. eta vs tors. theta energy: -315.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -3662.081931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3662.081931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3662.081931 (E_RNA) where: Base-Base interactions energy: -2666.102 where: short stacking energy: -1014.666 Base-Backbone interact. energy: 1.004 local terms energy: -996.983471 where: bonds (distance) C4'-P energy: -173.493 bonds (distance) P-C4' energy: -189.676 flat angles C4'-P-C4' energy: -210.240 flat angles P-C4'-P energy: -145.889 tors. eta vs tors. theta energy: -277.686 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: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -3540.252706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3540.252706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3540.252706 (E_RNA) where: Base-Base interactions energy: -2589.783 where: short stacking energy: -979.880 Base-Backbone interact. energy: -1.668 local terms energy: -948.802152 where: bonds (distance) C4'-P energy: -161.381 bonds (distance) P-C4' energy: -175.216 flat angles C4'-P-C4' energy: -203.894 flat angles P-C4'-P energy: -125.444 tors. eta vs tors. theta energy: -282.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -3520.445388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3520.445388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3520.445388 (E_RNA) where: Base-Base interactions energy: -2559.807 where: short stacking energy: -997.277 Base-Backbone interact. energy: -1.404 local terms energy: -959.233494 where: bonds (distance) C4'-P energy: -165.737 bonds (distance) P-C4' energy: -142.200 flat angles C4'-P-C4' energy: -215.383 flat angles P-C4'-P energy: -148.456 tors. eta vs tors. theta energy: -287.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -3410.460321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3410.460321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3410.460321 (E_RNA) where: Base-Base interactions energy: -2500.572 where: short stacking energy: -965.547 Base-Backbone interact. energy: -0.881 local terms energy: -909.007833 where: bonds (distance) C4'-P energy: -139.088 bonds (distance) P-C4' energy: -167.197 flat angles C4'-P-C4' energy: -194.712 flat angles P-C4'-P energy: -127.546 tors. eta vs tors. theta energy: -280.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -3202.943321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.943321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.943321 (E_RNA) where: Base-Base interactions energy: -2321.288 where: short stacking energy: -901.427 Base-Backbone interact. energy: -1.440 local terms energy: -880.214996 where: bonds (distance) C4'-P energy: -130.052 bonds (distance) P-C4' energy: -152.422 flat angles C4'-P-C4' energy: -207.979 flat angles P-C4'-P energy: -124.630 tors. eta vs tors. theta energy: -265.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -3042.826027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.826027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.826027 (E_RNA) where: Base-Base interactions energy: -2221.996 where: short stacking energy: -839.647 Base-Backbone interact. energy: 0.140 local terms energy: -820.970648 where: bonds (distance) C4'-P energy: -134.602 bonds (distance) P-C4' energy: -141.492 flat angles C4'-P-C4' energy: -190.466 flat angles P-C4'-P energy: -108.481 tors. eta vs tors. theta energy: -245.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -2960.069028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.069028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.069028 (E_RNA) where: Base-Base interactions energy: -2136.391 where: short stacking energy: -841.929 Base-Backbone interact. energy: 1.651 local terms energy: -825.329598 where: bonds (distance) C4'-P energy: -129.253 bonds (distance) P-C4' energy: -136.835 flat angles C4'-P-C4' energy: -178.913 flat angles P-C4'-P energy: -123.537 tors. eta vs tors. theta energy: -256.791 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: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -2572.516771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.516771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.516771 (E_RNA) where: Base-Base interactions energy: -1834.296 where: short stacking energy: -712.431 Base-Backbone interact. energy: -2.856 local terms energy: -735.364731 where: bonds (distance) C4'-P energy: -146.350 bonds (distance) P-C4' energy: -133.174 flat angles C4'-P-C4' energy: -170.619 flat angles P-C4'-P energy: -94.377 tors. eta vs tors. theta energy: -190.845 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: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3854.054649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3854.054649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3854.054649 (E_RNA) where: Base-Base interactions energy: -2815.683 where: short stacking energy: -1080.931 Base-Backbone interact. energy: -2.724 local terms energy: -1035.647489 where: bonds (distance) C4'-P energy: -173.668 bonds (distance) P-C4' energy: -181.083 flat angles C4'-P-C4' energy: -222.290 flat angles P-C4'-P energy: -151.607 tors. eta vs tors. theta energy: -306.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -3772.929914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3772.929914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3772.929914 (E_RNA) where: Base-Base interactions energy: -2764.251 where: short stacking energy: -1072.414 Base-Backbone interact. energy: -3.071 local terms energy: -1005.607712 where: bonds (distance) C4'-P energy: -167.414 bonds (distance) P-C4' energy: -175.872 flat angles C4'-P-C4' energy: -210.366 flat angles P-C4'-P energy: -147.046 tors. eta vs tors. theta energy: -304.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -3607.664219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.664219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.664219 (E_RNA) where: Base-Base interactions energy: -2624.506 where: short stacking energy: -995.758 Base-Backbone interact. energy: -2.804 local terms energy: -980.354105 where: bonds (distance) C4'-P energy: -159.370 bonds (distance) P-C4' energy: -168.962 flat angles C4'-P-C4' energy: -213.987 flat angles P-C4'-P energy: -151.802 tors. eta vs tors. theta energy: -286.234 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: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -3534.933793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3534.933793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3534.933793 (E_RNA) where: Base-Base interactions energy: -2573.994 where: short stacking energy: -987.566 Base-Backbone interact. energy: 0.365 local terms energy: -961.305343 where: bonds (distance) C4'-P energy: -177.052 bonds (distance) P-C4' energy: -164.704 flat angles C4'-P-C4' energy: -195.742 flat angles P-C4'-P energy: -133.528 tors. eta vs tors. theta energy: -290.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -3495.168357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3495.168357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3495.168357 (E_RNA) where: Base-Base interactions energy: -2557.832 where: short stacking energy: -985.112 Base-Backbone interact. energy: -0.916 local terms energy: -936.419952 where: bonds (distance) C4'-P energy: -159.500 bonds (distance) P-C4' energy: -162.684 flat angles C4'-P-C4' energy: -205.086 flat angles P-C4'-P energy: -127.225 tors. eta vs tors. theta energy: -281.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -3396.943793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.943793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.943793 (E_RNA) where: Base-Base interactions energy: -2477.915 where: short stacking energy: -952.430 Base-Backbone interact. energy: 1.236 local terms energy: -920.264609 where: bonds (distance) C4'-P energy: -155.280 bonds (distance) P-C4' energy: -155.422 flat angles C4'-P-C4' energy: -199.671 flat angles P-C4'-P energy: -139.164 tors. eta vs tors. theta energy: -270.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -3245.303880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.303880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.303880 (E_RNA) where: Base-Base interactions energy: -2362.550 where: short stacking energy: -920.885 Base-Backbone interact. energy: -3.033 local terms energy: -879.721547 where: bonds (distance) C4'-P energy: -145.323 bonds (distance) P-C4' energy: -157.382 flat angles C4'-P-C4' energy: -187.904 flat angles P-C4'-P energy: -125.927 tors. eta vs tors. theta energy: -263.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -3075.865364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.865364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.865364 (E_RNA) where: Base-Base interactions energy: -2226.849 where: short stacking energy: -864.658 Base-Backbone interact. energy: -3.466 local terms energy: -845.550205 where: bonds (distance) C4'-P energy: -140.797 bonds (distance) P-C4' energy: -162.912 flat angles C4'-P-C4' energy: -188.952 flat angles P-C4'-P energy: -117.202 tors. eta vs tors. theta energy: -235.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -2927.207207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.207207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.207207 (E_RNA) where: Base-Base interactions energy: -2078.374 where: short stacking energy: -811.016 Base-Backbone interact. energy: 0.042 local terms energy: -848.875280 where: bonds (distance) C4'-P energy: -156.120 bonds (distance) P-C4' energy: -128.320 flat angles C4'-P-C4' energy: -194.267 flat angles P-C4'-P energy: -130.316 tors. eta vs tors. theta energy: -239.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -2548.690905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.690905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.690905 (E_RNA) where: Base-Base interactions energy: -1843.808 where: short stacking energy: -735.586 Base-Backbone interact. energy: -1.980 local terms energy: -702.903637 where: bonds (distance) C4'-P energy: -111.012 bonds (distance) P-C4' energy: -129.312 flat angles C4'-P-C4' energy: -157.547 flat angles P-C4'-P energy: -110.609 tors. eta vs tors. theta energy: -194.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3878.696789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3878.696789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3878.696789 (E_RNA) where: Base-Base interactions energy: -2826.358 where: short stacking energy: -1076.730 Base-Backbone interact. energy: 0.436 local terms energy: -1052.774263 where: bonds (distance) C4'-P energy: -196.157 bonds (distance) P-C4' energy: -193.906 flat angles C4'-P-C4' energy: -222.681 flat angles P-C4'-P energy: -139.349 tors. eta vs tors. theta energy: -300.682 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: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -3798.199975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3798.199975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3798.199975 (E_RNA) where: Base-Base interactions energy: -2776.236 where: short stacking energy: -1070.341 Base-Backbone interact. energy: 6.661 local terms energy: -1028.624860 where: bonds (distance) C4'-P energy: -176.838 bonds (distance) P-C4' energy: -173.219 flat angles C4'-P-C4' energy: -221.014 flat angles P-C4'-P energy: -142.629 tors. eta vs tors. theta energy: -314.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -3621.613510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3621.613510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3621.613510 (E_RNA) where: Base-Base interactions energy: -2642.724 where: short stacking energy: -1026.894 Base-Backbone interact. energy: -3.210 local terms energy: -975.679420 where: bonds (distance) C4'-P energy: -149.673 bonds (distance) P-C4' energy: -178.529 flat angles C4'-P-C4' energy: -217.190 flat angles P-C4'-P energy: -144.162 tors. eta vs tors. theta energy: -286.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -3536.273797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3536.273797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3536.273797 (E_RNA) where: Base-Base interactions energy: -2627.707 where: short stacking energy: -1010.042 Base-Backbone interact. energy: 0.490 local terms energy: -909.056377 where: bonds (distance) C4'-P energy: -145.305 bonds (distance) P-C4' energy: -169.599 flat angles C4'-P-C4' energy: -186.966 flat angles P-C4'-P energy: -122.448 tors. eta vs tors. theta energy: -284.738 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: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -3480.555032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3480.555032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3480.555032 (E_RNA) where: Base-Base interactions energy: -2524.808 where: short stacking energy: -1005.210 Base-Backbone interact. energy: -1.299 local terms energy: -954.448636 where: bonds (distance) C4'-P energy: -162.066 bonds (distance) P-C4' energy: -170.745 flat angles C4'-P-C4' energy: -200.934 flat angles P-C4'-P energy: -132.589 tors. eta vs tors. theta energy: -288.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -3396.981407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.981407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.981407 (E_RNA) where: Base-Base interactions energy: -2504.930 where: short stacking energy: -976.731 Base-Backbone interact. energy: 2.716 local terms energy: -894.767177 where: bonds (distance) C4'-P energy: -145.132 bonds (distance) P-C4' energy: -160.214 flat angles C4'-P-C4' energy: -185.401 flat angles P-C4'-P energy: -126.017 tors. eta vs tors. theta energy: -278.005 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: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -3211.912712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.912712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.912712 (E_RNA) where: Base-Base interactions energy: -2327.397 where: short stacking energy: -900.287 Base-Backbone interact. energy: 2.879 local terms energy: -887.394799 where: bonds (distance) C4'-P energy: -144.183 bonds (distance) P-C4' energy: -167.006 flat angles C4'-P-C4' energy: -191.801 flat angles P-C4'-P energy: -118.887 tors. eta vs tors. theta energy: -265.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -3118.026325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.026325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.026325 (E_RNA) where: Base-Base interactions energy: -2230.010 where: short stacking energy: -861.554 Base-Backbone interact. energy: 6.635 local terms energy: -894.651201 where: bonds (distance) C4'-P energy: -132.117 bonds (distance) P-C4' energy: -167.479 flat angles C4'-P-C4' energy: -201.705 flat angles P-C4'-P energy: -132.651 tors. eta vs tors. theta energy: -260.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -2854.616769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.616769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.616769 (E_RNA) where: Base-Base interactions energy: -2053.963 where: short stacking energy: -824.025 Base-Backbone interact. energy: -1.940 local terms energy: -798.713797 where: bonds (distance) C4'-P energy: -135.486 bonds (distance) P-C4' energy: -139.621 flat angles C4'-P-C4' energy: -174.767 flat angles P-C4'-P energy: -113.862 tors. eta vs tors. theta energy: -234.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -2508.064238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.064238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.064238 (E_RNA) where: Base-Base interactions energy: -1783.612 where: short stacking energy: -709.155 Base-Backbone interact. energy: 3.663 local terms energy: -728.115889 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -150.305 flat angles C4'-P-C4' energy: -157.158 flat angles P-C4'-P energy: -127.738 tors. eta vs tors. theta energy: -182.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3853.737334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3853.737334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3853.737334 (E_RNA) where: Base-Base interactions energy: -2839.151 where: short stacking energy: -1082.337 Base-Backbone interact. energy: -4.599 local terms energy: -1009.987306 where: bonds (distance) C4'-P energy: -182.797 bonds (distance) P-C4' energy: -180.821 flat angles C4'-P-C4' energy: -207.191 flat angles P-C4'-P energy: -135.224 tors. eta vs tors. theta energy: -303.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -3801.876609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3801.876609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3801.876609 (E_RNA) where: Base-Base interactions energy: -2749.582 where: short stacking energy: -1088.029 Base-Backbone interact. energy: 0.031 local terms energy: -1052.325325 where: bonds (distance) C4'-P energy: -173.188 bonds (distance) P-C4' energy: -179.738 flat angles C4'-P-C4' energy: -225.722 flat angles P-C4'-P energy: -151.037 tors. eta vs tors. theta energy: -322.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -3635.068999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3635.068999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3635.068999 (E_RNA) where: Base-Base interactions energy: -2649.871 where: short stacking energy: -1026.416 Base-Backbone interact. energy: -0.270 local terms energy: -984.927773 where: bonds (distance) C4'-P energy: -160.462 bonds (distance) P-C4' energy: -164.534 flat angles C4'-P-C4' energy: -205.558 flat angles P-C4'-P energy: -150.904 tors. eta vs tors. theta energy: -303.470 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: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -3570.028361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.028361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.028361 (E_RNA) where: Base-Base interactions energy: -2598.516 where: short stacking energy: -1006.642 Base-Backbone interact. energy: -1.254 local terms energy: -970.258360 where: bonds (distance) C4'-P energy: -147.127 bonds (distance) P-C4' energy: -178.643 flat angles C4'-P-C4' energy: -212.328 flat angles P-C4'-P energy: -143.359 tors. eta vs tors. theta energy: -288.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -3477.179051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.179051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.179051 (E_RNA) where: Base-Base interactions energy: -2537.483 where: short stacking energy: -971.672 Base-Backbone interact. energy: -2.136 local terms energy: -937.559962 where: bonds (distance) C4'-P energy: -154.403 bonds (distance) P-C4' energy: -162.580 flat angles C4'-P-C4' energy: -191.865 flat angles P-C4'-P energy: -148.785 tors. eta vs tors. theta energy: -279.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -3432.551576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3432.551576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3432.551576 (E_RNA) where: Base-Base interactions energy: -2543.588 where: short stacking energy: -979.213 Base-Backbone interact. energy: -2.442 local terms energy: -886.521898 where: bonds (distance) C4'-P energy: -152.123 bonds (distance) P-C4' energy: -142.086 flat angles C4'-P-C4' energy: -191.116 flat angles P-C4'-P energy: -125.048 tors. eta vs tors. theta energy: -276.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -3245.393614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.393614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.393614 (E_RNA) where: Base-Base interactions energy: -2345.284 where: short stacking energy: -896.255 Base-Backbone interact. energy: 6.808 local terms energy: -906.917641 where: bonds (distance) C4'-P energy: -158.063 bonds (distance) P-C4' energy: -156.526 flat angles C4'-P-C4' energy: -198.074 flat angles P-C4'-P energy: -125.979 tors. eta vs tors. theta energy: -268.275 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: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -3131.640083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.640083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.640083 (E_RNA) where: Base-Base interactions energy: -2273.919 where: short stacking energy: -900.186 Base-Backbone interact. energy: 0.195 local terms energy: -857.915915 where: bonds (distance) C4'-P energy: -140.213 bonds (distance) P-C4' energy: -149.818 flat angles C4'-P-C4' energy: -189.188 flat angles P-C4'-P energy: -122.709 tors. eta vs tors. theta energy: -255.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -2778.619115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.619115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.619115 (E_RNA) where: Base-Base interactions energy: -2005.795 where: short stacking energy: -790.018 Base-Backbone interact. energy: -2.247 local terms energy: -770.576995 where: bonds (distance) C4'-P energy: -127.772 bonds (distance) P-C4' energy: -152.629 flat angles C4'-P-C4' energy: -154.930 flat angles P-C4'-P energy: -117.000 tors. eta vs tors. theta energy: -218.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -2589.639120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.639120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.639120 (E_RNA) where: Base-Base interactions energy: -1824.323 where: short stacking energy: -711.527 Base-Backbone interact. energy: 4.477 local terms energy: -769.792295 where: bonds (distance) C4'-P energy: -143.389 bonds (distance) P-C4' energy: -148.440 flat angles C4'-P-C4' energy: -155.802 flat angles P-C4'-P energy: -111.925 tors. eta vs tors. theta energy: -210.235 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: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3867.835435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3867.835435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3867.835435 (E_RNA) where: Base-Base interactions energy: -2819.666 where: short stacking energy: -1090.185 Base-Backbone interact. energy: -1.331 local terms energy: -1046.838026 where: bonds (distance) C4'-P energy: -201.169 bonds (distance) P-C4' energy: -182.900 flat angles C4'-P-C4' energy: -206.151 flat angles P-C4'-P energy: -143.673 tors. eta vs tors. theta energy: -312.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -3789.891231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3789.891231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3789.891231 (E_RNA) where: Base-Base interactions energy: -2745.264 where: short stacking energy: -1073.260 Base-Backbone interact. energy: -1.248 local terms energy: -1043.379299 where: bonds (distance) C4'-P energy: -174.238 bonds (distance) P-C4' energy: -183.382 flat angles C4'-P-C4' energy: -223.972 flat angles P-C4'-P energy: -150.495 tors. eta vs tors. theta energy: -311.293 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: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -3612.736400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3612.736400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3612.736400 (E_RNA) where: Base-Base interactions energy: -2632.938 where: short stacking energy: -1034.155 Base-Backbone interact. energy: -0.676 local terms energy: -979.122766 where: bonds (distance) C4'-P energy: -155.475 bonds (distance) P-C4' energy: -181.009 flat angles C4'-P-C4' energy: -212.996 flat angles P-C4'-P energy: -131.714 tors. eta vs tors. theta energy: -297.928 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: 4, replica: 3 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -3582.034631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.034631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.034631 (E_RNA) where: Base-Base interactions energy: -2607.897 where: short stacking energy: -995.894 Base-Backbone interact. energy: -0.479 local terms energy: -973.657960 where: bonds (distance) C4'-P energy: -169.376 bonds (distance) P-C4' energy: -177.812 flat angles C4'-P-C4' energy: -199.863 flat angles P-C4'-P energy: -138.944 tors. eta vs tors. theta energy: -287.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -3449.138780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3449.138780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3449.138780 (E_RNA) where: Base-Base interactions energy: -2514.663 where: short stacking energy: -976.505 Base-Backbone interact. energy: 1.932 local terms energy: -936.406868 where: bonds (distance) C4'-P energy: -171.182 bonds (distance) P-C4' energy: -160.355 flat angles C4'-P-C4' energy: -191.107 flat angles P-C4'-P energy: -127.530 tors. eta vs tors. theta energy: -286.232 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: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -3388.677735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3388.677735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3388.677735 (E_RNA) where: Base-Base interactions energy: -2481.919 where: short stacking energy: -942.847 Base-Backbone interact. energy: -1.261 local terms energy: -905.498132 where: bonds (distance) C4'-P energy: -151.576 bonds (distance) P-C4' energy: -168.988 flat angles C4'-P-C4' energy: -177.017 flat angles P-C4'-P energy: -129.082 tors. eta vs tors. theta energy: -278.835 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: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -3223.364360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.364360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.364360 (E_RNA) where: Base-Base interactions energy: -2317.726 where: short stacking energy: -895.297 Base-Backbone interact. energy: 3.993 local terms energy: -909.631379 where: bonds (distance) C4'-P energy: -150.716 bonds (distance) P-C4' energy: -174.547 flat angles C4'-P-C4' energy: -179.597 flat angles P-C4'-P energy: -140.222 tors. eta vs tors. theta energy: -264.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -3133.570107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.570107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.570107 (E_RNA) where: Base-Base interactions energy: -2287.886 where: short stacking energy: -906.422 Base-Backbone interact. energy: 1.733 local terms energy: -847.417357 where: bonds (distance) C4'-P energy: -137.026 bonds (distance) P-C4' energy: -145.124 flat angles C4'-P-C4' energy: -187.154 flat angles P-C4'-P energy: -111.774 tors. eta vs tors. theta energy: -266.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -2884.498306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.498306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.498306 (E_RNA) where: Base-Base interactions energy: -2059.965 where: short stacking energy: -796.740 Base-Backbone interact. energy: -1.118 local terms energy: -823.414993 where: bonds (distance) C4'-P energy: -149.215 bonds (distance) P-C4' energy: -153.509 flat angles C4'-P-C4' energy: -176.682 flat angles P-C4'-P energy: -107.164 tors. eta vs tors. theta energy: -236.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -2576.297546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.297546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.297546 (E_RNA) where: Base-Base interactions energy: -1831.436 where: short stacking energy: -723.747 Base-Backbone interact. energy: 0.737 local terms energy: -745.598580 where: bonds (distance) C4'-P energy: -149.276 bonds (distance) P-C4' energy: -138.202 flat angles C4'-P-C4' energy: -170.030 flat angles P-C4'-P energy: -104.292 tors. eta vs tors. theta energy: -183.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3883.166942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3883.166942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3883.166942 (E_RNA) where: Base-Base interactions energy: -2832.903 where: short stacking energy: -1084.528 Base-Backbone interact. energy: -1.921 local terms energy: -1048.342271 where: bonds (distance) C4'-P energy: -187.375 bonds (distance) P-C4' energy: -189.188 flat angles C4'-P-C4' energy: -224.203 flat angles P-C4'-P energy: -141.426 tors. eta vs tors. theta energy: -306.150 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: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -3790.324462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.324462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.324462 (E_RNA) where: Base-Base interactions energy: -2749.933 where: short stacking energy: -1064.973 Base-Backbone interact. energy: -3.940 local terms energy: -1036.451204 where: bonds (distance) C4'-P energy: -170.073 bonds (distance) P-C4' energy: -183.646 flat angles C4'-P-C4' energy: -218.054 flat angles P-C4'-P energy: -150.228 tors. eta vs tors. theta energy: -314.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -3676.872363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.872363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.872363 (E_RNA) where: Base-Base interactions energy: -2669.826 where: short stacking energy: -1042.603 Base-Backbone interact. energy: -1.034 local terms energy: -1006.012710 where: bonds (distance) C4'-P energy: -172.917 bonds (distance) P-C4' energy: -169.101 flat angles C4'-P-C4' energy: -222.052 flat angles P-C4'-P energy: -151.034 tors. eta vs tors. theta energy: -290.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -3554.530056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3554.530056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3554.530056 (E_RNA) where: Base-Base interactions energy: -2588.667 where: short stacking energy: -1009.838 Base-Backbone interact. energy: -1.263 local terms energy: -964.599892 where: bonds (distance) C4'-P energy: -158.856 bonds (distance) P-C4' energy: -168.290 flat angles C4'-P-C4' energy: -206.155 flat angles P-C4'-P energy: -152.453 tors. eta vs tors. theta energy: -278.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -3458.381944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.381944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.381944 (E_RNA) where: Base-Base interactions energy: -2505.480 where: short stacking energy: -960.524 Base-Backbone interact. energy: -0.122 local terms energy: -952.780623 where: bonds (distance) C4'-P energy: -170.514 bonds (distance) P-C4' energy: -169.720 flat angles C4'-P-C4' energy: -195.123 flat angles P-C4'-P energy: -142.035 tors. eta vs tors. theta energy: -275.389 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: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -3358.593956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3358.593956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3358.593956 (E_RNA) where: Base-Base interactions energy: -2436.934 where: short stacking energy: -942.352 Base-Backbone interact. energy: -2.833 local terms energy: -918.827210 where: bonds (distance) C4'-P energy: -168.251 bonds (distance) P-C4' energy: -158.183 flat angles C4'-P-C4' energy: -192.593 flat angles P-C4'-P energy: -119.711 tors. eta vs tors. theta energy: -280.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -3191.626415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.626415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.626415 (E_RNA) where: Base-Base interactions energy: -2324.068 where: short stacking energy: -905.195 Base-Backbone interact. energy: 0.540 local terms energy: -868.097797 where: bonds (distance) C4'-P energy: -143.558 bonds (distance) P-C4' energy: -131.524 flat angles C4'-P-C4' energy: -197.726 flat angles P-C4'-P energy: -133.468 tors. eta vs tors. theta energy: -261.821 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: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -3127.064749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.064749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.064749 (E_RNA) where: Base-Base interactions energy: -2293.233 where: short stacking energy: -871.724 Base-Backbone interact. energy: -1.903 local terms energy: -831.929083 where: bonds (distance) C4'-P energy: -154.129 bonds (distance) P-C4' energy: -114.402 flat angles C4'-P-C4' energy: -177.594 flat angles P-C4'-P energy: -123.940 tors. eta vs tors. theta energy: -261.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -2883.179860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.179860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.179860 (E_RNA) where: Base-Base interactions energy: -2051.037 where: short stacking energy: -821.562 Base-Backbone interact. energy: -2.055 local terms energy: -830.087428 where: bonds (distance) C4'-P energy: -132.725 bonds (distance) P-C4' energy: -153.272 flat angles C4'-P-C4' energy: -165.186 flat angles P-C4'-P energy: -125.919 tors. eta vs tors. theta energy: -252.985 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: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -2620.114245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.114245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.114245 (E_RNA) where: Base-Base interactions energy: -1886.961 where: short stacking energy: -727.474 Base-Backbone interact. energy: -0.599 local terms energy: -732.554481 where: bonds (distance) C4'-P energy: -131.661 bonds (distance) P-C4' energy: -117.344 flat angles C4'-P-C4' energy: -162.386 flat angles P-C4'-P energy: -117.220 tors. eta vs tors. theta energy: -203.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3866.521437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3866.521437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3866.521437 (E_RNA) where: Base-Base interactions energy: -2817.874 where: short stacking energy: -1078.248 Base-Backbone interact. energy: -2.222 local terms energy: -1046.424646 where: bonds (distance) C4'-P energy: -188.800 bonds (distance) P-C4' energy: -188.550 flat angles C4'-P-C4' energy: -218.352 flat angles P-C4'-P energy: -149.561 tors. eta vs tors. theta energy: -301.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -3798.255483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3798.255483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3798.255483 (E_RNA) where: Base-Base interactions energy: -2750.546 where: short stacking energy: -1061.894 Base-Backbone interact. energy: -4.004 local terms energy: -1043.706111 where: bonds (distance) C4'-P energy: -186.413 bonds (distance) P-C4' energy: -188.577 flat angles C4'-P-C4' energy: -215.943 flat angles P-C4'-P energy: -148.961 tors. eta vs tors. theta energy: -303.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -3631.054048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3631.054048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3631.054048 (E_RNA) where: Base-Base interactions energy: -2629.360 where: short stacking energy: -1036.653 Base-Backbone interact. energy: -2.179 local terms energy: -999.515223 where: bonds (distance) C4'-P energy: -171.850 bonds (distance) P-C4' energy: -179.914 flat angles C4'-P-C4' energy: -209.663 flat angles P-C4'-P energy: -146.506 tors. eta vs tors. theta energy: -291.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -3573.798040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3573.798040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3573.798040 (E_RNA) where: Base-Base interactions energy: -2621.462 where: short stacking energy: -1033.489 Base-Backbone interact. energy: -0.755 local terms energy: -951.580832 where: bonds (distance) C4'-P energy: -156.115 bonds (distance) P-C4' energy: -160.787 flat angles C4'-P-C4' energy: -204.321 flat angles P-C4'-P energy: -146.098 tors. eta vs tors. theta energy: -284.259 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: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -3488.542852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.542852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.542852 (E_RNA) where: Base-Base interactions energy: -2522.713 where: short stacking energy: -981.625 Base-Backbone interact. energy: -3.825 local terms energy: -962.005257 where: bonds (distance) C4'-P energy: -176.042 bonds (distance) P-C4' energy: -159.863 flat angles C4'-P-C4' energy: -198.636 flat angles P-C4'-P energy: -145.230 tors. eta vs tors. theta energy: -282.235 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: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -3381.781681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3381.781681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3381.781681 (E_RNA) where: Base-Base interactions energy: -2488.897 where: short stacking energy: -973.542 Base-Backbone interact. energy: -2.437 local terms energy: -890.447733 where: bonds (distance) C4'-P energy: -136.176 bonds (distance) P-C4' energy: -164.343 flat angles C4'-P-C4' energy: -194.191 flat angles P-C4'-P energy: -122.250 tors. eta vs tors. theta energy: -273.488 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: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -3167.053068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.053068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.053068 (E_RNA) where: Base-Base interactions energy: -2238.468 where: short stacking energy: -861.058 Base-Backbone interact. energy: 0.287 local terms energy: -928.872122 where: bonds (distance) C4'-P energy: -151.722 bonds (distance) P-C4' energy: -179.870 flat angles C4'-P-C4' energy: -197.437 flat angles P-C4'-P energy: -136.112 tors. eta vs tors. theta energy: -263.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -3194.699305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.699305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.699305 (E_RNA) where: Base-Base interactions energy: -2347.014 where: short stacking energy: -912.375 Base-Backbone interact. energy: 3.676 local terms energy: -851.361195 where: bonds (distance) C4'-P energy: -112.432 bonds (distance) P-C4' energy: -164.283 flat angles C4'-P-C4' energy: -187.519 flat angles P-C4'-P energy: -124.484 tors. eta vs tors. theta energy: -262.643 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: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -2826.836388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.836388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.836388 (E_RNA) where: Base-Base interactions energy: -2042.225 where: short stacking energy: -784.929 Base-Backbone interact. energy: 2.973 local terms energy: -787.584362 where: bonds (distance) C4'-P energy: -141.562 bonds (distance) P-C4' energy: -170.204 flat angles C4'-P-C4' energy: -174.003 flat angles P-C4'-P energy: -102.897 tors. eta vs tors. theta energy: -198.917 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: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -2676.420506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.420506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.420506 (E_RNA) where: Base-Base interactions energy: -1896.781 where: short stacking energy: -743.899 Base-Backbone interact. energy: -1.979 local terms energy: -777.660438 where: bonds (distance) C4'-P energy: -149.359 bonds (distance) P-C4' energy: -144.829 flat angles C4'-P-C4' energy: -164.721 flat angles P-C4'-P energy: -116.701 tors. eta vs tors. theta energy: -202.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3860.237467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3860.237467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3860.237467 (E_RNA) where: Base-Base interactions energy: -2818.748 where: short stacking energy: -1079.215 Base-Backbone interact. energy: -1.646 local terms energy: -1039.843404 where: bonds (distance) C4'-P energy: -179.417 bonds (distance) P-C4' energy: -187.475 flat angles C4'-P-C4' energy: -211.793 flat angles P-C4'-P energy: -150.467 tors. eta vs tors. theta energy: -310.692 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: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -3790.415482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.415482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.415482 (E_RNA) where: Base-Base interactions energy: -2747.128 where: short stacking energy: -1077.028 Base-Backbone interact. energy: -5.055 local terms energy: -1038.233191 where: bonds (distance) C4'-P energy: -177.835 bonds (distance) P-C4' energy: -185.227 flat angles C4'-P-C4' energy: -217.404 flat angles P-C4'-P energy: -137.745 tors. eta vs tors. theta energy: -320.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -3617.097726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3617.097726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3617.097726 (E_RNA) where: Base-Base interactions energy: -2630.298 where: short stacking energy: -1013.928 Base-Backbone interact. energy: 0.138 local terms energy: -986.937976 where: bonds (distance) C4'-P energy: -181.166 bonds (distance) P-C4' energy: -183.364 flat angles C4'-P-C4' energy: -206.702 flat angles P-C4'-P energy: -131.711 tors. eta vs tors. theta energy: -283.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -3527.796514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3527.796514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3527.796514 (E_RNA) where: Base-Base interactions energy: -2570.503 where: short stacking energy: -999.615 Base-Backbone interact. energy: -0.306 local terms energy: -956.987542 where: bonds (distance) C4'-P energy: -163.814 bonds (distance) P-C4' energy: -164.894 flat angles C4'-P-C4' energy: -198.071 flat angles P-C4'-P energy: -140.649 tors. eta vs tors. theta energy: -289.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -3490.920018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3490.920018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3490.920018 (E_RNA) where: Base-Base interactions energy: -2549.949 where: short stacking energy: -991.089 Base-Backbone interact. energy: -2.828 local terms energy: -938.142742 where: bonds (distance) C4'-P energy: -150.354 bonds (distance) P-C4' energy: -153.460 flat angles C4'-P-C4' energy: -207.476 flat angles P-C4'-P energy: -139.612 tors. eta vs tors. theta energy: -287.241 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: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -3354.486317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.486317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.486317 (E_RNA) where: Base-Base interactions energy: -2466.241 where: short stacking energy: -926.610 Base-Backbone interact. energy: 2.739 local terms energy: -890.984097 where: bonds (distance) C4'-P energy: -149.705 bonds (distance) P-C4' energy: -157.486 flat angles C4'-P-C4' energy: -182.584 flat angles P-C4'-P energy: -132.863 tors. eta vs tors. theta energy: -268.346 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: 7, replica: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -3213.611257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.611257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.611257 (E_RNA) where: Base-Base interactions energy: -2307.336 where: short stacking energy: -922.495 Base-Backbone interact. energy: -0.031 local terms energy: -906.243656 where: bonds (distance) C4'-P energy: -155.007 bonds (distance) P-C4' energy: -169.422 flat angles C4'-P-C4' energy: -198.309 flat angles P-C4'-P energy: -113.642 tors. eta vs tors. theta energy: -269.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -3169.929513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.929513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.929513 (E_RNA) where: Base-Base interactions energy: -2297.864 where: short stacking energy: -890.139 Base-Backbone interact. energy: 0.756 local terms energy: -872.821502 where: bonds (distance) C4'-P energy: -146.088 bonds (distance) P-C4' energy: -144.429 flat angles C4'-P-C4' energy: -199.141 flat angles P-C4'-P energy: -124.932 tors. eta vs tors. theta energy: -258.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -2876.956647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.956647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.956647 (E_RNA) where: Base-Base interactions energy: -2060.500 where: short stacking energy: -809.499 Base-Backbone interact. energy: -2.548 local terms energy: -813.908585 where: bonds (distance) C4'-P energy: -148.073 bonds (distance) P-C4' energy: -122.927 flat angles C4'-P-C4' energy: -177.236 flat angles P-C4'-P energy: -128.338 tors. eta vs tors. theta energy: -237.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -2623.573986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.573986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.573986 (E_RNA) where: Base-Base interactions energy: -1827.026 where: short stacking energy: -727.211 Base-Backbone interact. energy: 0.685 local terms energy: -797.233283 where: bonds (distance) C4'-P energy: -151.883 bonds (distance) P-C4' energy: -163.847 flat angles C4'-P-C4' energy: -162.225 flat angles P-C4'-P energy: -119.503 tors. eta vs tors. theta energy: -199.775 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: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3886.321598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3886.321598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3886.321598 (E_RNA) where: Base-Base interactions energy: -2839.180 where: short stacking energy: -1095.025 Base-Backbone interact. energy: -2.824 local terms energy: -1044.317846 where: bonds (distance) C4'-P energy: -188.470 bonds (distance) P-C4' energy: -177.186 flat angles C4'-P-C4' energy: -218.811 flat angles P-C4'-P energy: -143.097 tors. eta vs tors. theta energy: -316.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -3794.304017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3794.304017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3794.304017 (E_RNA) where: Base-Base interactions energy: -2771.967 where: short stacking energy: -1056.405 Base-Backbone interact. energy: -1.483 local terms energy: -1020.854279 where: bonds (distance) C4'-P energy: -163.284 bonds (distance) P-C4' energy: -183.016 flat angles C4'-P-C4' energy: -226.226 flat angles P-C4'-P energy: -134.422 tors. eta vs tors. theta energy: -313.907 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: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -3624.611512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3624.611512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3624.611512 (E_RNA) where: Base-Base interactions energy: -2636.349 where: short stacking energy: -1038.381 Base-Backbone interact. energy: 3.920 local terms energy: -992.182653 where: bonds (distance) C4'-P energy: -166.434 bonds (distance) P-C4' energy: -161.218 flat angles C4'-P-C4' energy: -219.910 flat angles P-C4'-P energy: -151.892 tors. eta vs tors. theta energy: -292.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -3570.236849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.236849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.236849 (E_RNA) where: Base-Base interactions energy: -2619.537 where: short stacking energy: -992.722 Base-Backbone interact. energy: -0.441 local terms energy: -950.259133 where: bonds (distance) C4'-P energy: -165.465 bonds (distance) P-C4' energy: -161.555 flat angles C4'-P-C4' energy: -206.734 flat angles P-C4'-P energy: -131.394 tors. eta vs tors. theta energy: -285.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -3455.753442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3455.753442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3455.753442 (E_RNA) where: Base-Base interactions energy: -2520.823 where: short stacking energy: -978.991 Base-Backbone interact. energy: 0.591 local terms energy: -935.521264 where: bonds (distance) C4'-P energy: -171.969 bonds (distance) P-C4' energy: -161.946 flat angles C4'-P-C4' energy: -194.525 flat angles P-C4'-P energy: -119.455 tors. eta vs tors. theta energy: -287.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -3339.915470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.915470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.915470 (E_RNA) where: Base-Base interactions energy: -2432.104 where: short stacking energy: -923.786 Base-Backbone interact. energy: -1.290 local terms energy: -906.521914 where: bonds (distance) C4'-P energy: -163.830 bonds (distance) P-C4' energy: -152.706 flat angles C4'-P-C4' energy: -190.948 flat angles P-C4'-P energy: -128.263 tors. eta vs tors. theta energy: -270.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -3238.568873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.568873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.568873 (E_RNA) where: Base-Base interactions energy: -2378.511 where: short stacking energy: -941.603 Base-Backbone interact. energy: -1.332 local terms energy: -858.725849 where: bonds (distance) C4'-P energy: -143.920 bonds (distance) P-C4' energy: -161.536 flat angles C4'-P-C4' energy: -187.064 flat angles P-C4'-P energy: -92.077 tors. eta vs tors. theta energy: -274.129 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: 9 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -3123.564141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.564141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.564141 (E_RNA) where: Base-Base interactions energy: -2270.436 where: short stacking energy: -893.376 Base-Backbone interact. energy: 1.753 local terms energy: -854.881742 where: bonds (distance) C4'-P energy: -134.049 bonds (distance) P-C4' energy: -152.004 flat angles C4'-P-C4' energy: -183.564 flat angles P-C4'-P energy: -124.395 tors. eta vs tors. theta energy: -260.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -2716.465989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.465989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.465989 (E_RNA) where: Base-Base interactions energy: -1944.542 where: short stacking energy: -769.497 Base-Backbone interact. energy: 0.185 local terms energy: -772.108613 where: bonds (distance) C4'-P energy: -149.882 bonds (distance) P-C4' energy: -161.510 flat angles C4'-P-C4' energy: -155.214 flat angles P-C4'-P energy: -104.117 tors. eta vs tors. theta energy: -201.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -2722.048456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.048456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.048456 (E_RNA) where: Base-Base interactions energy: -1940.994 where: short stacking energy: -768.597 Base-Backbone interact. energy: 0.173 local terms energy: -781.227358 where: bonds (distance) C4'-P energy: -119.309 bonds (distance) P-C4' energy: -152.063 flat angles C4'-P-C4' energy: -175.530 flat angles P-C4'-P energy: -121.286 tors. eta vs tors. theta energy: -213.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3885.151012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3885.151012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3885.151012 (E_RNA) where: Base-Base interactions energy: -2830.282 where: short stacking energy: -1094.736 Base-Backbone interact. energy: -2.926 local terms energy: -1051.942936 where: bonds (distance) C4'-P energy: -187.956 bonds (distance) P-C4' energy: -186.389 flat angles C4'-P-C4' energy: -220.426 flat angles P-C4'-P energy: -149.102 tors. eta vs tors. theta energy: -308.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -3779.110050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3779.110050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3779.110050 (E_RNA) where: Base-Base interactions energy: -2726.135 where: short stacking energy: -1040.624 Base-Backbone interact. energy: -4.550 local terms energy: -1048.425139 where: bonds (distance) C4'-P energy: -174.636 bonds (distance) P-C4' energy: -182.879 flat angles C4'-P-C4' energy: -230.084 flat angles P-C4'-P energy: -149.456 tors. eta vs tors. theta energy: -311.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -3616.564986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3616.564986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3616.564986 (E_RNA) where: Base-Base interactions energy: -2616.815 where: short stacking energy: -1039.947 Base-Backbone interact. energy: 2.349 local terms energy: -1002.099317 where: bonds (distance) C4'-P energy: -166.821 bonds (distance) P-C4' energy: -183.350 flat angles C4'-P-C4' energy: -212.040 flat angles P-C4'-P energy: -138.860 tors. eta vs tors. theta energy: -301.028 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: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -3560.391774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3560.391774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3560.391774 (E_RNA) where: Base-Base interactions energy: -2612.405 where: short stacking energy: -1010.667 Base-Backbone interact. energy: 2.374 local terms energy: -950.360416 where: bonds (distance) C4'-P energy: -150.143 bonds (distance) P-C4' energy: -181.503 flat angles C4'-P-C4' energy: -191.426 flat angles P-C4'-P energy: -135.963 tors. eta vs tors. theta energy: -291.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -3505.224569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3505.224569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3505.224569 (E_RNA) where: Base-Base interactions energy: -2533.340 where: short stacking energy: -991.445 Base-Backbone interact. energy: -0.753 local terms energy: -971.131222 where: bonds (distance) C4'-P energy: -176.395 bonds (distance) P-C4' energy: -174.558 flat angles C4'-P-C4' energy: -199.455 flat angles P-C4'-P energy: -134.766 tors. eta vs tors. theta energy: -285.957 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: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -3341.970563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3341.970563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3341.970563 (E_RNA) where: Base-Base interactions energy: -2424.495 where: short stacking energy: -935.371 Base-Backbone interact. energy: -2.442 local terms energy: -915.033009 where: bonds (distance) C4'-P energy: -158.684 bonds (distance) P-C4' energy: -150.688 flat angles C4'-P-C4' energy: -203.959 flat angles P-C4'-P energy: -140.805 tors. eta vs tors. theta energy: -260.897 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: 279 Temperature: 1.200000 Total energy: -3263.125966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.125966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.125966 (E_RNA) where: Base-Base interactions energy: -2378.802 where: short stacking energy: -931.220 Base-Backbone interact. energy: 3.015 local terms energy: -887.338322 where: bonds (distance) C4'-P energy: -150.918 bonds (distance) P-C4' energy: -150.618 flat angles C4'-P-C4' energy: -196.864 flat angles P-C4'-P energy: -127.747 tors. eta vs tors. theta energy: -261.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -3190.637613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.637613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.637613 (E_RNA) where: Base-Base interactions energy: -2281.975 where: short stacking energy: -911.393 Base-Backbone interact. energy: -3.866 local terms energy: -904.796391 where: bonds (distance) C4'-P energy: -156.217 bonds (distance) P-C4' energy: -168.777 flat angles C4'-P-C4' energy: -179.113 flat angles P-C4'-P energy: -129.864 tors. eta vs tors. theta energy: -270.825 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: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -2859.237228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.237228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.237228 (E_RNA) where: Base-Base interactions energy: -2089.740 where: short stacking energy: -801.151 Base-Backbone interact. energy: -0.135 local terms energy: -769.361470 where: bonds (distance) C4'-P energy: -131.628 bonds (distance) P-C4' energy: -149.786 flat angles C4'-P-C4' energy: -174.962 flat angles P-C4'-P energy: -89.293 tors. eta vs tors. theta energy: -223.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -2689.559344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.559344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.559344 (E_RNA) where: Base-Base interactions energy: -1956.962 where: short stacking energy: -762.405 Base-Backbone interact. energy: -3.948 local terms energy: -728.648709 where: bonds (distance) C4'-P energy: -134.441 bonds (distance) P-C4' energy: -126.092 flat angles C4'-P-C4' energy: -182.270 flat angles P-C4'-P energy: -87.584 tors. eta vs tors. theta energy: -198.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3878.946510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3878.946510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3878.946510 (E_RNA) where: Base-Base interactions energy: -2838.509 where: short stacking energy: -1105.283 Base-Backbone interact. energy: -4.154 local terms energy: -1036.283395 where: bonds (distance) C4'-P energy: -168.401 bonds (distance) P-C4' energy: -187.572 flat angles C4'-P-C4' energy: -220.316 flat angles P-C4'-P energy: -147.208 tors. eta vs tors. theta energy: -312.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -3771.625711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3771.625711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3771.625711 (E_RNA) where: Base-Base interactions energy: -2743.438 where: short stacking energy: -1060.650 Base-Backbone interact. energy: -1.030 local terms energy: -1027.157174 where: bonds (distance) C4'-P energy: -162.437 bonds (distance) P-C4' energy: -172.618 flat angles C4'-P-C4' energy: -217.497 flat angles P-C4'-P energy: -163.293 tors. eta vs tors. theta energy: -311.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -3624.657714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3624.657714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3624.657714 (E_RNA) where: Base-Base interactions energy: -2639.720 where: short stacking energy: -1018.983 Base-Backbone interact. energy: -1.528 local terms energy: -983.409701 where: bonds (distance) C4'-P energy: -178.604 bonds (distance) P-C4' energy: -179.350 flat angles C4'-P-C4' energy: -190.906 flat angles P-C4'-P energy: -139.263 tors. eta vs tors. theta energy: -295.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -3565.469550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3565.469550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3565.469550 (E_RNA) where: Base-Base interactions energy: -2581.271 where: short stacking energy: -997.725 Base-Backbone interact. energy: 1.781 local terms energy: -985.979438 where: bonds (distance) C4'-P energy: -148.926 bonds (distance) P-C4' energy: -176.150 flat angles C4'-P-C4' energy: -215.489 flat angles P-C4'-P energy: -146.860 tors. eta vs tors. theta energy: -298.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -3432.422711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3432.422711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3432.422711 (E_RNA) where: Base-Base interactions energy: -2477.528 where: short stacking energy: -956.094 Base-Backbone interact. energy: -2.591 local terms energy: -952.303658 where: bonds (distance) C4'-P energy: -170.737 bonds (distance) P-C4' energy: -165.882 flat angles C4'-P-C4' energy: -209.655 flat angles P-C4'-P energy: -138.331 tors. eta vs tors. theta energy: -267.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -3386.117558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3386.117558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3386.117558 (E_RNA) where: Base-Base interactions energy: -2447.073 where: short stacking energy: -920.980 Base-Backbone interact. energy: 0.046 local terms energy: -939.090412 where: bonds (distance) C4'-P energy: -170.727 bonds (distance) P-C4' energy: -151.706 flat angles C4'-P-C4' energy: -205.235 flat angles P-C4'-P energy: -141.470 tors. eta vs tors. theta energy: -269.951 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: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -3231.364051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.364051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.364051 (E_RNA) where: Base-Base interactions energy: -2342.118 where: short stacking energy: -940.920 Base-Backbone interact. energy: -0.622 local terms energy: -888.624757 where: bonds (distance) C4'-P energy: -151.362 bonds (distance) P-C4' energy: -159.406 flat angles C4'-P-C4' energy: -187.781 flat angles P-C4'-P energy: -119.155 tors. eta vs tors. theta energy: -270.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -3134.437855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.437855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.437855 (E_RNA) where: Base-Base interactions energy: -2274.808 where: short stacking energy: -878.349 Base-Backbone interact. energy: -1.115 local terms energy: -858.514621 where: bonds (distance) C4'-P energy: -140.293 bonds (distance) P-C4' energy: -151.358 flat angles C4'-P-C4' energy: -184.448 flat angles P-C4'-P energy: -116.880 tors. eta vs tors. theta energy: -265.536 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: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -2876.874878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.874878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.874878 (E_RNA) where: Base-Base interactions energy: -2086.531 where: short stacking energy: -798.970 Base-Backbone interact. energy: -0.508 local terms energy: -789.836225 where: bonds (distance) C4'-P energy: -148.687 bonds (distance) P-C4' energy: -138.633 flat angles C4'-P-C4' energy: -174.783 flat angles P-C4'-P energy: -94.460 tors. eta vs tors. theta energy: -233.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -2678.368301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.368301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.368301 (E_RNA) where: Base-Base interactions energy: -1919.464 where: short stacking energy: -744.324 Base-Backbone interact. energy: -2.329 local terms energy: -756.575430 where: bonds (distance) C4'-P energy: -135.999 bonds (distance) P-C4' energy: -132.592 flat angles C4'-P-C4' energy: -183.214 flat angles P-C4'-P energy: -101.897 tors. eta vs tors. theta energy: -202.874 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: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3864.560732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3864.560732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3864.560732 (E_RNA) where: Base-Base interactions energy: -2812.879 where: short stacking energy: -1078.774 Base-Backbone interact. energy: -1.392 local terms energy: -1050.289215 where: bonds (distance) C4'-P energy: -175.928 bonds (distance) P-C4' energy: -190.282 flat angles C4'-P-C4' energy: -222.897 flat angles P-C4'-P energy: -154.472 tors. eta vs tors. theta energy: -306.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -3809.224469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3809.224469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3809.224469 (E_RNA) where: Base-Base interactions energy: -2778.986 where: short stacking energy: -1073.577 Base-Backbone interact. energy: -4.309 local terms energy: -1025.929255 where: bonds (distance) C4'-P energy: -171.419 bonds (distance) P-C4' energy: -173.848 flat angles C4'-P-C4' energy: -211.626 flat angles P-C4'-P energy: -148.247 tors. eta vs tors. theta energy: -320.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -3627.080047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3627.080047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3627.080047 (E_RNA) where: Base-Base interactions energy: -2620.517 where: short stacking energy: -1012.220 Base-Backbone interact. energy: -0.772 local terms energy: -1005.790941 where: bonds (distance) C4'-P energy: -167.773 bonds (distance) P-C4' energy: -179.736 flat angles C4'-P-C4' energy: -212.093 flat angles P-C4'-P energy: -151.016 tors. eta vs tors. theta energy: -295.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -3585.724809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3585.724809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3585.724809 (E_RNA) where: Base-Base interactions energy: -2613.754 where: short stacking energy: -1002.053 Base-Backbone interact. energy: 5.375 local terms energy: -977.345345 where: bonds (distance) C4'-P energy: -162.412 bonds (distance) P-C4' energy: -169.008 flat angles C4'-P-C4' energy: -208.643 flat angles P-C4'-P energy: -133.300 tors. eta vs tors. theta energy: -303.983 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: 10 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -3441.861671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3441.861671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3441.861671 (E_RNA) where: Base-Base interactions energy: -2505.666 where: short stacking energy: -972.063 Base-Backbone interact. energy: 1.917 local terms energy: -938.112688 where: bonds (distance) C4'-P energy: -154.372 bonds (distance) P-C4' energy: -169.907 flat angles C4'-P-C4' energy: -202.948 flat angles P-C4'-P energy: -138.021 tors. eta vs tors. theta energy: -272.864 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: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -3350.664728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.664728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.664728 (E_RNA) where: Base-Base interactions energy: -2443.710 where: short stacking energy: -914.256 Base-Backbone interact. energy: -1.238 local terms energy: -905.716456 where: bonds (distance) C4'-P energy: -178.645 bonds (distance) P-C4' energy: -155.638 flat angles C4'-P-C4' energy: -192.651 flat angles P-C4'-P energy: -118.091 tors. eta vs tors. theta energy: -260.691 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: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -3167.431728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.431728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.431728 (E_RNA) where: Base-Base interactions energy: -2282.776 where: short stacking energy: -874.777 Base-Backbone interact. energy: 1.240 local terms energy: -885.895329 where: bonds (distance) C4'-P energy: -138.564 bonds (distance) P-C4' energy: -140.691 flat angles C4'-P-C4' energy: -209.471 flat angles P-C4'-P energy: -130.056 tors. eta vs tors. theta energy: -267.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -3096.800165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.800165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.800165 (E_RNA) where: Base-Base interactions energy: -2211.984 where: short stacking energy: -889.244 Base-Backbone interact. energy: 0.963 local terms energy: -885.779372 where: bonds (distance) C4'-P energy: -144.970 bonds (distance) P-C4' energy: -155.868 flat angles C4'-P-C4' energy: -191.277 flat angles P-C4'-P energy: -119.174 tors. eta vs tors. theta energy: -274.491 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: 281 Temperature: 1.300000 Total energy: -2733.365371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.365371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.365371 (E_RNA) where: Base-Base interactions energy: -1936.299 where: short stacking energy: -773.400 Base-Backbone interact. energy: -1.736 local terms energy: -795.330303 where: bonds (distance) C4'-P energy: -140.231 bonds (distance) P-C4' energy: -151.756 flat angles C4'-P-C4' energy: -186.270 flat angles P-C4'-P energy: -115.926 tors. eta vs tors. theta energy: -201.147 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: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -2629.669577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.669577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.669577 (E_RNA) where: Base-Base interactions energy: -1903.612 where: short stacking energy: -746.845 Base-Backbone interact. energy: -2.823 local terms energy: -723.234391 where: bonds (distance) C4'-P energy: -137.205 bonds (distance) P-C4' energy: -123.038 flat angles C4'-P-C4' energy: -159.036 flat angles P-C4'-P energy: -89.462 tors. eta vs tors. theta energy: -214.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3858.024352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3858.024352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3858.024352 (E_RNA) where: Base-Base interactions energy: -2827.681 where: short stacking energy: -1086.388 Base-Backbone interact. energy: -1.686 local terms energy: -1028.657480 where: bonds (distance) C4'-P energy: -182.046 bonds (distance) P-C4' energy: -182.057 flat angles C4'-P-C4' energy: -217.400 flat angles P-C4'-P energy: -145.869 tors. eta vs tors. theta energy: -301.287 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: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -3803.693640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3803.693640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3803.693640 (E_RNA) where: Base-Base interactions energy: -2756.898 where: short stacking energy: -1067.075 Base-Backbone interact. energy: -1.543 local terms energy: -1045.252513 where: bonds (distance) C4'-P energy: -186.304 bonds (distance) P-C4' energy: -170.186 flat angles C4'-P-C4' energy: -218.714 flat angles P-C4'-P energy: -143.396 tors. eta vs tors. theta energy: -326.652 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: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -3625.376062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.376062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.376062 (E_RNA) where: Base-Base interactions energy: -2669.318 where: short stacking energy: -1035.496 Base-Backbone interact. energy: -2.348 local terms energy: -953.710140 where: bonds (distance) C4'-P energy: -157.519 bonds (distance) P-C4' energy: -162.338 flat angles C4'-P-C4' energy: -193.303 flat angles P-C4'-P energy: -136.204 tors. eta vs tors. theta energy: -304.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -3553.490899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3553.490899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3553.490899 (E_RNA) where: Base-Base interactions energy: -2605.059 where: short stacking energy: -1004.549 Base-Backbone interact. energy: 0.680 local terms energy: -949.111776 where: bonds (distance) C4'-P energy: -150.028 bonds (distance) P-C4' energy: -162.788 flat angles C4'-P-C4' energy: -209.375 flat angles P-C4'-P energy: -144.184 tors. eta vs tors. theta energy: -282.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -3455.659221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3455.659221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3455.659221 (E_RNA) where: Base-Base interactions energy: -2517.087 where: short stacking energy: -961.202 Base-Backbone interact. energy: 0.397 local terms energy: -938.969141 where: bonds (distance) C4'-P energy: -164.403 bonds (distance) P-C4' energy: -176.138 flat angles C4'-P-C4' energy: -191.537 flat angles P-C4'-P energy: -136.963 tors. eta vs tors. theta energy: -269.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -3421.795295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3421.795295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3421.795295 (E_RNA) where: Base-Base interactions energy: -2487.882 where: short stacking energy: -944.958 Base-Backbone interact. energy: 0.242 local terms energy: -934.154858 where: bonds (distance) C4'-P energy: -154.264 bonds (distance) P-C4' energy: -158.414 flat angles C4'-P-C4' energy: -212.529 flat angles P-C4'-P energy: -137.335 tors. eta vs tors. theta energy: -271.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -3201.584618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.584618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.584618 (E_RNA) where: Base-Base interactions energy: -2327.001 where: short stacking energy: -905.358 Base-Backbone interact. energy: -1.457 local terms energy: -873.126816 where: bonds (distance) C4'-P energy: -148.332 bonds (distance) P-C4' energy: -151.806 flat angles C4'-P-C4' energy: -199.617 flat angles P-C4'-P energy: -117.992 tors. eta vs tors. theta energy: -255.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -3171.526969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.526969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.526969 (E_RNA) where: Base-Base interactions energy: -2315.503 where: short stacking energy: -895.519 Base-Backbone interact. energy: 3.972 local terms energy: -859.996210 where: bonds (distance) C4'-P energy: -146.154 bonds (distance) P-C4' energy: -143.349 flat angles C4'-P-C4' energy: -186.455 flat angles P-C4'-P energy: -116.848 tors. eta vs tors. theta energy: -267.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -2761.644764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.644764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.644764 (E_RNA) where: Base-Base interactions energy: -1983.357 where: short stacking energy: -780.537 Base-Backbone interact. energy: 0.454 local terms energy: -778.740882 where: bonds (distance) C4'-P energy: -121.342 bonds (distance) P-C4' energy: -140.168 flat angles C4'-P-C4' energy: -182.757 flat angles P-C4'-P energy: -115.307 tors. eta vs tors. theta energy: -219.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -2695.194361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.194361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.194361 (E_RNA) where: Base-Base interactions energy: -1962.061 where: short stacking energy: -756.457 Base-Backbone interact. energy: 0.209 local terms energy: -733.343115 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -124.862 flat angles C4'-P-C4' energy: -170.231 flat angles P-C4'-P energy: -101.536 tors. eta vs tors. theta energy: -208.315 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: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3873.917289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3873.917289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3873.917289 (E_RNA) where: Base-Base interactions energy: -2815.257 where: short stacking energy: -1074.830 Base-Backbone interact. energy: -1.003 local terms energy: -1057.657005 where: bonds (distance) C4'-P energy: -190.476 bonds (distance) P-C4' energy: -198.887 flat angles C4'-P-C4' energy: -219.864 flat angles P-C4'-P energy: -143.657 tors. eta vs tors. theta energy: -304.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -3817.100553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.100553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.100553 (E_RNA) where: Base-Base interactions energy: -2780.943 where: short stacking energy: -1071.880 Base-Backbone interact. energy: 1.199 local terms energy: -1037.356825 where: bonds (distance) C4'-P energy: -186.244 bonds (distance) P-C4' energy: -178.715 flat angles C4'-P-C4' energy: -216.897 flat angles P-C4'-P energy: -145.327 tors. eta vs tors. theta energy: -310.174 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: 283 Temperature: 1.000000 Total energy: -3670.309695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3670.309695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3670.309695 (E_RNA) where: Base-Base interactions energy: -2647.113 where: short stacking energy: -1038.799 Base-Backbone interact. energy: 4.000 local terms energy: -1027.196680 where: bonds (distance) C4'-P energy: -172.943 bonds (distance) P-C4' energy: -182.828 flat angles C4'-P-C4' energy: -223.368 flat angles P-C4'-P energy: -146.994 tors. eta vs tors. theta energy: -301.063 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: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -3552.949899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.949899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.949899 (E_RNA) where: Base-Base interactions energy: -2582.959 where: short stacking energy: -1007.796 Base-Backbone interact. energy: -2.735 local terms energy: -967.256425 where: bonds (distance) C4'-P energy: -159.398 bonds (distance) P-C4' energy: -172.635 flat angles C4'-P-C4' energy: -201.813 flat angles P-C4'-P energy: -141.990 tors. eta vs tors. theta energy: -291.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -3472.903267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.903267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.903267 (E_RNA) where: Base-Base interactions energy: -2574.276 where: short stacking energy: -974.842 Base-Backbone interact. energy: -1.762 local terms energy: -896.864715 where: bonds (distance) C4'-P energy: -135.286 bonds (distance) P-C4' energy: -153.578 flat angles C4'-P-C4' energy: -198.396 flat angles P-C4'-P energy: -128.755 tors. eta vs tors. theta energy: -280.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -3391.215940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3391.215940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3391.215940 (E_RNA) where: Base-Base interactions energy: -2465.072 where: short stacking energy: -941.958 Base-Backbone interact. energy: -1.929 local terms energy: -924.215520 where: bonds (distance) C4'-P energy: -141.548 bonds (distance) P-C4' energy: -179.161 flat angles C4'-P-C4' energy: -200.462 flat angles P-C4'-P energy: -135.285 tors. eta vs tors. theta energy: -267.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -3282.343310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.343310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.343310 (E_RNA) where: Base-Base interactions energy: -2371.258 where: short stacking energy: -906.127 Base-Backbone interact. energy: -1.963 local terms energy: -909.122120 where: bonds (distance) C4'-P energy: -156.061 bonds (distance) P-C4' energy: -156.706 flat angles C4'-P-C4' energy: -210.611 flat angles P-C4'-P energy: -120.199 tors. eta vs tors. theta energy: -265.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -3154.249521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.249521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.249521 (E_RNA) where: Base-Base interactions energy: -2310.332 where: short stacking energy: -908.637 Base-Backbone interact. energy: 7.514 local terms energy: -851.431516 where: bonds (distance) C4'-P energy: -143.730 bonds (distance) P-C4' energy: -136.855 flat angles C4'-P-C4' energy: -188.141 flat angles P-C4'-P energy: -115.921 tors. eta vs tors. theta energy: -266.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -2676.176936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.176936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.176936 (E_RNA) where: Base-Base interactions energy: -1876.006 where: short stacking energy: -753.301 Base-Backbone interact. energy: -0.118 local terms energy: -800.052866 where: bonds (distance) C4'-P energy: -147.464 bonds (distance) P-C4' energy: -165.790 flat angles C4'-P-C4' energy: -165.645 flat angles P-C4'-P energy: -112.968 tors. eta vs tors. theta energy: -208.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -2759.657077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.657077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.657077 (E_RNA) where: Base-Base interactions energy: -2005.982 where: short stacking energy: -770.209 Base-Backbone interact. energy: -1.468 local terms energy: -752.206457 where: bonds (distance) C4'-P energy: -127.547 bonds (distance) P-C4' energy: -145.894 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -101.879 tors. eta vs tors. theta energy: -217.983 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: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3847.336770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3847.336770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3847.336770 (E_RNA) where: Base-Base interactions energy: -2802.900 where: short stacking energy: -1065.976 Base-Backbone interact. energy: -0.978 local terms energy: -1043.458482 where: bonds (distance) C4'-P energy: -185.499 bonds (distance) P-C4' energy: -182.197 flat angles C4'-P-C4' energy: -226.249 flat angles P-C4'-P energy: -154.668 tors. eta vs tors. theta energy: -294.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -3829.563345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3829.563345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3829.563345 (E_RNA) where: Base-Base interactions energy: -2776.869 where: short stacking energy: -1082.274 Base-Backbone interact. energy: 0.075 local terms energy: -1052.768797 where: bonds (distance) C4'-P energy: -193.337 bonds (distance) P-C4' energy: -169.136 flat angles C4'-P-C4' energy: -215.084 flat angles P-C4'-P energy: -154.708 tors. eta vs tors. theta energy: -320.504 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: 4 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -3667.647393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3667.647393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3667.647393 (E_RNA) where: Base-Base interactions energy: -2670.816 where: short stacking energy: -1028.334 Base-Backbone interact. energy: -1.628 local terms energy: -995.203674 where: bonds (distance) C4'-P energy: -177.191 bonds (distance) P-C4' energy: -159.105 flat angles C4'-P-C4' energy: -209.104 flat angles P-C4'-P energy: -148.801 tors. eta vs tors. theta energy: -301.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -3572.732033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3572.732033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3572.732033 (E_RNA) where: Base-Base interactions energy: -2625.569 where: short stacking energy: -1013.991 Base-Backbone interact. energy: 6.333 local terms energy: -953.496233 where: bonds (distance) C4'-P energy: -178.658 bonds (distance) P-C4' energy: -168.915 flat angles C4'-P-C4' energy: -196.320 flat angles P-C4'-P energy: -127.632 tors. eta vs tors. theta energy: -281.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -3454.340419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.340419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.340419 (E_RNA) where: Base-Base interactions energy: -2557.601 where: short stacking energy: -985.358 Base-Backbone interact. energy: -2.522 local terms energy: -894.217460 where: bonds (distance) C4'-P energy: -139.909 bonds (distance) P-C4' energy: -157.926 flat angles C4'-P-C4' energy: -190.834 flat angles P-C4'-P energy: -135.982 tors. eta vs tors. theta energy: -269.566 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: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -3328.127901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3328.127901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3328.127901 (E_RNA) where: Base-Base interactions energy: -2414.451 where: short stacking energy: -925.020 Base-Backbone interact. energy: 0.128 local terms energy: -913.805437 where: bonds (distance) C4'-P energy: -163.492 bonds (distance) P-C4' energy: -174.018 flat angles C4'-P-C4' energy: -207.343 flat angles P-C4'-P energy: -104.933 tors. eta vs tors. theta energy: -264.020 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: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -3264.980567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.980567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.980567 (E_RNA) where: Base-Base interactions energy: -2353.979 where: short stacking energy: -934.800 Base-Backbone interact. energy: -1.243 local terms energy: -909.757842 where: bonds (distance) C4'-P energy: -155.373 bonds (distance) P-C4' energy: -152.159 flat angles C4'-P-C4' energy: -207.927 flat angles P-C4'-P energy: -118.407 tors. eta vs tors. theta energy: -275.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -3240.016141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.016141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.016141 (E_RNA) where: Base-Base interactions energy: -2374.158 where: short stacking energy: -904.378 Base-Backbone interact. energy: -2.434 local terms energy: -863.423562 where: bonds (distance) C4'-P energy: -138.977 bonds (distance) P-C4' energy: -155.321 flat angles C4'-P-C4' energy: -181.768 flat angles P-C4'-P energy: -118.909 tors. eta vs tors. theta energy: -268.449 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: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -2836.777850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.777850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.777850 (E_RNA) where: Base-Base interactions energy: -1988.769 where: short stacking energy: -772.415 Base-Backbone interact. energy: 1.122 local terms energy: -849.130854 where: bonds (distance) C4'-P energy: -144.766 bonds (distance) P-C4' energy: -146.784 flat angles C4'-P-C4' energy: -187.343 flat angles P-C4'-P energy: -146.751 tors. eta vs tors. theta energy: -223.487 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: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -2725.398253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.398253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.398253 (E_RNA) where: Base-Base interactions energy: -1966.449 where: short stacking energy: -753.718 Base-Backbone interact. energy: 2.043 local terms energy: -760.991986 where: bonds (distance) C4'-P energy: -125.468 bonds (distance) P-C4' energy: -124.100 flat angles C4'-P-C4' energy: -193.129 flat angles P-C4'-P energy: -102.007 tors. eta vs tors. theta energy: -216.288 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: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3870.460614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3870.460614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3870.460614 (E_RNA) where: Base-Base interactions energy: -2802.218 where: short stacking energy: -1087.539 Base-Backbone interact. energy: -1.619 local terms energy: -1066.623907 where: bonds (distance) C4'-P energy: -179.099 bonds (distance) P-C4' energy: -188.756 flat angles C4'-P-C4' energy: -224.620 flat angles P-C4'-P energy: -164.582 tors. eta vs tors. theta energy: -309.566 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: 2, replica: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -3826.593536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3826.593536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3826.593536 (E_RNA) where: Base-Base interactions energy: -2772.900 where: short stacking energy: -1085.717 Base-Backbone interact. energy: -6.111 local terms energy: -1047.582046 where: bonds (distance) C4'-P energy: -185.774 bonds (distance) P-C4' energy: -169.140 flat angles C4'-P-C4' energy: -224.476 flat angles P-C4'-P energy: -146.509 tors. eta vs tors. theta energy: -321.683 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: 4 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -3650.340357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.340357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.340357 (E_RNA) where: Base-Base interactions energy: -2664.968 where: short stacking energy: -1028.252 Base-Backbone interact. energy: -2.694 local terms energy: -982.678229 where: bonds (distance) C4'-P energy: -165.591 bonds (distance) P-C4' energy: -175.852 flat angles C4'-P-C4' energy: -198.989 flat angles P-C4'-P energy: -143.740 tors. eta vs tors. theta energy: -298.507 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: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -3531.457712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3531.457712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3531.457712 (E_RNA) where: Base-Base interactions energy: -2569.014 where: short stacking energy: -1011.944 Base-Backbone interact. energy: -1.570 local terms energy: -960.873713 where: bonds (distance) C4'-P energy: -161.495 bonds (distance) P-C4' energy: -178.002 flat angles C4'-P-C4' energy: -211.253 flat angles P-C4'-P energy: -125.063 tors. eta vs tors. theta energy: -285.061 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: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -3507.864183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3507.864183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3507.864183 (E_RNA) where: Base-Base interactions energy: -2578.043 where: short stacking energy: -976.645 Base-Backbone interact. energy: -2.903 local terms energy: -926.918985 where: bonds (distance) C4'-P energy: -164.086 bonds (distance) P-C4' energy: -158.353 flat angles C4'-P-C4' energy: -192.839 flat angles P-C4'-P energy: -136.198 tors. eta vs tors. theta energy: -275.443 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: 285 Temperature: 1.150000 Total energy: -3327.639408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.639408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.639408 (E_RNA) where: Base-Base interactions energy: -2430.318 where: short stacking energy: -924.319 Base-Backbone interact. energy: 2.864 local terms energy: -900.185610 where: bonds (distance) C4'-P energy: -170.088 bonds (distance) P-C4' energy: -155.214 flat angles C4'-P-C4' energy: -196.362 flat angles P-C4'-P energy: -120.237 tors. eta vs tors. theta energy: -258.285 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: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -3228.709872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.709872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.709872 (E_RNA) where: Base-Base interactions energy: -2357.040 where: short stacking energy: -952.629 Base-Backbone interact. energy: 3.045 local terms energy: -874.715013 where: bonds (distance) C4'-P energy: -135.880 bonds (distance) P-C4' energy: -125.771 flat angles C4'-P-C4' energy: -205.228 flat angles P-C4'-P energy: -132.798 tors. eta vs tors. theta energy: -275.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -3218.234806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.234806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.234806 (E_RNA) where: Base-Base interactions energy: -2343.812 where: short stacking energy: -913.948 Base-Backbone interact. energy: -2.435 local terms energy: -871.987722 where: bonds (distance) C4'-P energy: -138.509 bonds (distance) P-C4' energy: -150.092 flat angles C4'-P-C4' energy: -191.865 flat angles P-C4'-P energy: -125.272 tors. eta vs tors. theta energy: -266.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -2800.269218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.269218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.269218 (E_RNA) where: Base-Base interactions energy: -1987.164 where: short stacking energy: -775.014 Base-Backbone interact. energy: -1.031 local terms energy: -812.074139 where: bonds (distance) C4'-P energy: -138.989 bonds (distance) P-C4' energy: -151.795 flat angles C4'-P-C4' energy: -181.655 flat angles P-C4'-P energy: -125.861 tors. eta vs tors. theta energy: -213.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -2727.434975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.434975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.434975 (E_RNA) where: Base-Base interactions energy: -1939.717 where: short stacking energy: -755.347 Base-Backbone interact. energy: 2.582 local terms energy: -790.300260 where: bonds (distance) C4'-P energy: -137.292 bonds (distance) P-C4' energy: -153.958 flat angles C4'-P-C4' energy: -177.281 flat angles P-C4'-P energy: -109.286 tors. eta vs tors. theta energy: -212.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3853.422853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3853.422853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3853.422853 (E_RNA) where: Base-Base interactions energy: -2807.554 where: short stacking energy: -1099.631 Base-Backbone interact. energy: 1.516 local terms energy: -1047.384231 where: bonds (distance) C4'-P energy: -188.909 bonds (distance) P-C4' energy: -171.843 flat angles C4'-P-C4' energy: -224.695 flat angles P-C4'-P energy: -141.065 tors. eta vs tors. theta energy: -320.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -3823.892497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.892497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.892497 (E_RNA) where: Base-Base interactions energy: -2771.445 where: short stacking energy: -1082.892 Base-Backbone interact. energy: -0.844 local terms energy: -1051.603726 where: bonds (distance) C4'-P energy: -169.439 bonds (distance) P-C4' energy: -187.908 flat angles C4'-P-C4' energy: -229.514 flat angles P-C4'-P energy: -153.237 tors. eta vs tors. theta energy: -311.506 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: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -3672.167635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3672.167635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3672.167635 (E_RNA) where: Base-Base interactions energy: -2660.820 where: short stacking energy: -1032.895 Base-Backbone interact. energy: 0.487 local terms energy: -1011.834740 where: bonds (distance) C4'-P energy: -174.402 bonds (distance) P-C4' energy: -181.396 flat angles C4'-P-C4' energy: -196.177 flat angles P-C4'-P energy: -145.079 tors. eta vs tors. theta energy: -314.780 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: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -3558.431662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.431662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.431662 (E_RNA) where: Base-Base interactions energy: -2601.183 where: short stacking energy: -996.666 Base-Backbone interact. energy: 0.178 local terms energy: -957.426964 where: bonds (distance) C4'-P energy: -152.401 bonds (distance) P-C4' energy: -158.562 flat angles C4'-P-C4' energy: -206.635 flat angles P-C4'-P energy: -147.206 tors. eta vs tors. theta energy: -292.623 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: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -3501.574253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3501.574253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3501.574253 (E_RNA) where: Base-Base interactions energy: -2559.184 where: short stacking energy: -983.208 Base-Backbone interact. energy: -3.529 local terms energy: -938.861711 where: bonds (distance) C4'-P energy: -161.822 bonds (distance) P-C4' energy: -169.260 flat angles C4'-P-C4' energy: -199.464 flat angles P-C4'-P energy: -132.939 tors. eta vs tors. theta energy: -275.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -3310.992663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.992663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.992663 (E_RNA) where: Base-Base interactions energy: -2410.014 where: short stacking energy: -912.176 Base-Backbone interact. energy: 2.867 local terms energy: -903.846164 where: bonds (distance) C4'-P energy: -147.374 bonds (distance) P-C4' energy: -158.678 flat angles C4'-P-C4' energy: -197.435 flat angles P-C4'-P energy: -132.184 tors. eta vs tors. theta energy: -268.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -3201.916986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.916986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.916986 (E_RNA) where: Base-Base interactions energy: -2316.546 where: short stacking energy: -917.812 Base-Backbone interact. energy: -4.283 local terms energy: -881.087611 where: bonds (distance) C4'-P energy: -140.383 bonds (distance) P-C4' energy: -149.421 flat angles C4'-P-C4' energy: -202.668 flat angles P-C4'-P energy: -126.403 tors. eta vs tors. theta energy: -262.213 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: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -3189.870209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.870209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.870209 (E_RNA) where: Base-Base interactions energy: -2321.955 where: short stacking energy: -885.621 Base-Backbone interact. energy: -1.592 local terms energy: -866.323521 where: bonds (distance) C4'-P energy: -129.023 bonds (distance) P-C4' energy: -156.602 flat angles C4'-P-C4' energy: -194.944 flat angles P-C4'-P energy: -125.134 tors. eta vs tors. theta energy: -260.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -2749.808008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.808008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.808008 (E_RNA) where: Base-Base interactions energy: -1972.557 where: short stacking energy: -774.506 Base-Backbone interact. energy: 2.211 local terms energy: -779.461679 where: bonds (distance) C4'-P energy: -145.130 bonds (distance) P-C4' energy: -150.640 flat angles C4'-P-C4' energy: -162.837 flat angles P-C4'-P energy: -101.721 tors. eta vs tors. theta energy: -219.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -2699.886547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.886547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.886547 (E_RNA) where: Base-Base interactions energy: -1952.446 where: short stacking energy: -775.168 Base-Backbone interact. energy: 5.249 local terms energy: -752.689602 where: bonds (distance) C4'-P energy: -134.531 bonds (distance) P-C4' energy: -153.751 flat angles C4'-P-C4' energy: -171.698 flat angles P-C4'-P energy: -100.544 tors. eta vs tors. theta energy: -192.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3883.438082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3883.438082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3883.438082 (E_RNA) where: Base-Base interactions energy: -2820.105 where: short stacking energy: -1090.822 Base-Backbone interact. energy: -0.101 local terms energy: -1063.232076 where: bonds (distance) C4'-P energy: -190.951 bonds (distance) P-C4' energy: -177.750 flat angles C4'-P-C4' energy: -224.253 flat angles P-C4'-P energy: -149.359 tors. eta vs tors. theta energy: -320.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -3777.668294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.668294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.668294 (E_RNA) where: Base-Base interactions energy: -2752.683 where: short stacking energy: -1045.834 Base-Backbone interact. energy: -3.193 local terms energy: -1021.792468 where: bonds (distance) C4'-P energy: -195.141 bonds (distance) P-C4' energy: -176.470 flat angles C4'-P-C4' energy: -200.457 flat angles P-C4'-P energy: -150.948 tors. eta vs tors. theta energy: -298.776 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: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -3650.189280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.189280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.189280 (E_RNA) where: Base-Base interactions energy: -2661.545 where: short stacking energy: -1031.255 Base-Backbone interact. energy: -2.587 local terms energy: -986.056864 where: bonds (distance) C4'-P energy: -172.330 bonds (distance) P-C4' energy: -177.759 flat angles C4'-P-C4' energy: -206.246 flat angles P-C4'-P energy: -131.878 tors. eta vs tors. theta energy: -297.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -3575.556736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3575.556736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3575.556736 (E_RNA) where: Base-Base interactions energy: -2620.872 where: short stacking energy: -1022.191 Base-Backbone interact. energy: -0.940 local terms energy: -953.744352 where: bonds (distance) C4'-P energy: -167.689 bonds (distance) P-C4' energy: -172.652 flat angles C4'-P-C4' energy: -198.618 flat angles P-C4'-P energy: -127.491 tors. eta vs tors. theta energy: -287.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -3485.086384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.086384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.086384 (E_RNA) where: Base-Base interactions energy: -2551.610 where: short stacking energy: -995.941 Base-Backbone interact. energy: 7.931 local terms energy: -941.407525 where: bonds (distance) C4'-P energy: -163.692 bonds (distance) P-C4' energy: -153.414 flat angles C4'-P-C4' energy: -206.717 flat angles P-C4'-P energy: -128.932 tors. eta vs tors. theta energy: -288.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -3347.610317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.610317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.610317 (E_RNA) where: Base-Base interactions energy: -2442.498 where: short stacking energy: -933.361 Base-Backbone interact. energy: -0.565 local terms energy: -904.547605 where: bonds (distance) C4'-P energy: -168.556 bonds (distance) P-C4' energy: -150.761 flat angles C4'-P-C4' energy: -210.477 flat angles P-C4'-P energy: -105.670 tors. eta vs tors. theta energy: -269.083 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: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -3244.389282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.389282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.389282 (E_RNA) where: Base-Base interactions energy: -2371.563 where: short stacking energy: -952.257 Base-Backbone interact. energy: -2.650 local terms energy: -870.176165 where: bonds (distance) C4'-P energy: -150.969 bonds (distance) P-C4' energy: -131.819 flat angles C4'-P-C4' energy: -203.307 flat angles P-C4'-P energy: -115.699 tors. eta vs tors. theta energy: -268.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -3105.137448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.137448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.137448 (E_RNA) where: Base-Base interactions energy: -2268.521 where: short stacking energy: -882.155 Base-Backbone interact. energy: -0.880 local terms energy: -835.735979 where: bonds (distance) C4'-P energy: -158.497 bonds (distance) P-C4' energy: -139.445 flat angles C4'-P-C4' energy: -174.362 flat angles P-C4'-P energy: -108.265 tors. eta vs tors. theta energy: -255.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -2875.718595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.718595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.718595 (E_RNA) where: Base-Base interactions energy: -2056.520 where: short stacking energy: -820.426 Base-Backbone interact. energy: 2.192 local terms energy: -821.390103 where: bonds (distance) C4'-P energy: -147.815 bonds (distance) P-C4' energy: -148.969 flat angles C4'-P-C4' energy: -166.054 flat angles P-C4'-P energy: -120.571 tors. eta vs tors. theta energy: -237.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -2704.083139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.083139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.083139 (E_RNA) where: Base-Base interactions energy: -1966.307 where: short stacking energy: -768.319 Base-Backbone interact. energy: 11.172 local terms energy: -748.948401 where: bonds (distance) C4'-P energy: -111.449 bonds (distance) P-C4' energy: -129.682 flat angles C4'-P-C4' energy: -181.973 flat angles P-C4'-P energy: -108.580 tors. eta vs tors. theta energy: -217.265 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: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3917.372973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3917.372973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3917.372973 (E_RNA) where: Base-Base interactions energy: -2820.062 where: short stacking energy: -1086.481 Base-Backbone interact. energy: -2.086 local terms energy: -1095.224924 where: bonds (distance) C4'-P energy: -193.706 bonds (distance) P-C4' energy: -189.182 flat angles C4'-P-C4' energy: -231.852 flat angles P-C4'-P energy: -155.900 tors. eta vs tors. theta energy: -324.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -3786.404702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3786.404702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3786.404702 (E_RNA) where: Base-Base interactions energy: -2778.824 where: short stacking energy: -1060.006 Base-Backbone interact. energy: -1.155 local terms energy: -1006.425544 where: bonds (distance) C4'-P energy: -185.560 bonds (distance) P-C4' energy: -182.489 flat angles C4'-P-C4' energy: -207.589 flat angles P-C4'-P energy: -143.026 tors. eta vs tors. theta energy: -287.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -3640.242000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3640.242000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3640.242000 (E_RNA) where: Base-Base interactions energy: -2648.882 where: short stacking energy: -1022.750 Base-Backbone interact. energy: -2.365 local terms energy: -988.995532 where: bonds (distance) C4'-P energy: -166.451 bonds (distance) P-C4' energy: -168.107 flat angles C4'-P-C4' energy: -218.432 flat angles P-C4'-P energy: -141.086 tors. eta vs tors. theta energy: -294.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -3581.582077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3581.582077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3581.582077 (E_RNA) where: Base-Base interactions energy: -2588.379 where: short stacking energy: -1001.711 Base-Backbone interact. energy: -3.056 local terms energy: -990.147412 where: bonds (distance) C4'-P energy: -160.711 bonds (distance) P-C4' energy: -177.946 flat angles C4'-P-C4' energy: -213.523 flat angles P-C4'-P energy: -140.164 tors. eta vs tors. theta energy: -297.803 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: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -3520.412040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3520.412040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3520.412040 (E_RNA) where: Base-Base interactions energy: -2607.317 where: short stacking energy: -1005.658 Base-Backbone interact. energy: 4.201 local terms energy: -917.295422 where: bonds (distance) C4'-P energy: -156.021 bonds (distance) P-C4' energy: -150.628 flat angles C4'-P-C4' energy: -195.792 flat angles P-C4'-P energy: -125.224 tors. eta vs tors. theta energy: -289.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -3334.312028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3334.312028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3334.312028 (E_RNA) where: Base-Base interactions energy: -2421.306 where: short stacking energy: -936.044 Base-Backbone interact. energy: -0.691 local terms energy: -912.314458 where: bonds (distance) C4'-P energy: -163.617 bonds (distance) P-C4' energy: -167.441 flat angles C4'-P-C4' energy: -201.383 flat angles P-C4'-P energy: -117.361 tors. eta vs tors. theta energy: -262.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -3177.422108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.422108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.422108 (E_RNA) where: Base-Base interactions energy: -2273.742 where: short stacking energy: -893.352 Base-Backbone interact. energy: 3.085 local terms energy: -906.765119 where: bonds (distance) C4'-P energy: -157.843 bonds (distance) P-C4' energy: -149.902 flat angles C4'-P-C4' energy: -195.073 flat angles P-C4'-P energy: -138.260 tors. eta vs tors. theta energy: -265.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -3152.653599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.653599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.653599 (E_RNA) where: Base-Base interactions energy: -2278.199 where: short stacking energy: -863.655 Base-Backbone interact. energy: -2.723 local terms energy: -871.731368 where: bonds (distance) C4'-P energy: -148.276 bonds (distance) P-C4' energy: -176.028 flat angles C4'-P-C4' energy: -176.215 flat angles P-C4'-P energy: -113.771 tors. eta vs tors. theta energy: -257.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -2786.521594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.521594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.521594 (E_RNA) where: Base-Base interactions energy: -2013.929 where: short stacking energy: -778.109 Base-Backbone interact. energy: 2.180 local terms energy: -774.773223 where: bonds (distance) C4'-P energy: -154.782 bonds (distance) P-C4' energy: -134.288 flat angles C4'-P-C4' energy: -168.848 flat angles P-C4'-P energy: -105.995 tors. eta vs tors. theta energy: -210.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -2699.009854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.009854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.009854 (E_RNA) where: Base-Base interactions energy: -1925.374 where: short stacking energy: -765.978 Base-Backbone interact. energy: 2.607 local terms energy: -776.243407 where: bonds (distance) C4'-P energy: -110.063 bonds (distance) P-C4' energy: -133.469 flat angles C4'-P-C4' energy: -179.175 flat angles P-C4'-P energy: -132.905 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: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3884.007447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3884.007447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3884.007447 (E_RNA) where: Base-Base interactions energy: -2841.473 where: short stacking energy: -1100.782 Base-Backbone interact. energy: -2.554 local terms energy: -1039.981087 where: bonds (distance) C4'-P energy: -176.568 bonds (distance) P-C4' energy: -174.331 flat angles C4'-P-C4' energy: -221.092 flat angles P-C4'-P energy: -138.634 tors. eta vs tors. theta energy: -329.356 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: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -3773.081473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3773.081473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3773.081473 (E_RNA) where: Base-Base interactions energy: -2734.395 where: short stacking energy: -1046.185 Base-Backbone interact. energy: -1.444 local terms energy: -1037.242459 where: bonds (distance) C4'-P energy: -189.164 bonds (distance) P-C4' energy: -175.001 flat angles C4'-P-C4' energy: -221.577 flat angles P-C4'-P energy: -147.686 tors. eta vs tors. theta energy: -303.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -3651.441441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3651.441441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3651.441441 (E_RNA) where: Base-Base interactions energy: -2675.327 where: short stacking energy: -1048.751 Base-Backbone interact. energy: -1.559 local terms energy: -974.555056 where: bonds (distance) C4'-P energy: -176.676 bonds (distance) P-C4' energy: -151.353 flat angles C4'-P-C4' energy: -196.100 flat angles P-C4'-P energy: -142.144 tors. eta vs tors. theta energy: -308.282 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: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -3554.532567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3554.532567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3554.532567 (E_RNA) where: Base-Base interactions energy: -2593.558 where: short stacking energy: -1002.745 Base-Backbone interact. energy: -2.169 local terms energy: -958.804968 where: bonds (distance) C4'-P energy: -158.515 bonds (distance) P-C4' energy: -152.444 flat angles C4'-P-C4' energy: -205.144 flat angles P-C4'-P energy: -143.291 tors. eta vs tors. theta energy: -299.411 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: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -3568.073164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.073164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.073164 (E_RNA) where: Base-Base interactions energy: -2641.291 where: short stacking energy: -994.567 Base-Backbone interact. energy: 1.399 local terms energy: -928.181260 where: bonds (distance) C4'-P energy: -137.446 bonds (distance) P-C4' energy: -164.495 flat angles C4'-P-C4' energy: -210.710 flat angles P-C4'-P energy: -134.272 tors. eta vs tors. theta energy: -281.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -3249.880705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3249.880705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3249.880705 (E_RNA) where: Base-Base interactions energy: -2337.444 where: short stacking energy: -919.011 Base-Backbone interact. energy: -1.082 local terms energy: -911.354743 where: bonds (distance) C4'-P energy: -151.123 bonds (distance) P-C4' energy: -172.008 flat angles C4'-P-C4' energy: -192.532 flat angles P-C4'-P energy: -135.904 tors. eta vs tors. theta energy: -259.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -3247.416907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.416907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.416907 (E_RNA) where: Base-Base interactions energy: -2360.719 where: short stacking energy: -923.380 Base-Backbone interact. energy: 4.885 local terms energy: -891.582512 where: bonds (distance) C4'-P energy: -174.877 bonds (distance) P-C4' energy: -146.121 flat angles C4'-P-C4' energy: -193.590 flat angles P-C4'-P energy: -122.434 tors. eta vs tors. theta energy: -254.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -3169.140636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.140636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.140636 (E_RNA) where: Base-Base interactions energy: -2289.110 where: short stacking energy: -879.721 Base-Backbone interact. energy: -3.976 local terms energy: -876.053695 where: bonds (distance) C4'-P energy: -166.500 bonds (distance) P-C4' energy: -139.854 flat angles C4'-P-C4' energy: -186.199 flat angles P-C4'-P energy: -110.805 tors. eta vs tors. theta energy: -272.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -2810.778343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.778343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.778343 (E_RNA) where: Base-Base interactions energy: -2012.452 where: short stacking energy: -795.052 Base-Backbone interact. energy: -3.231 local terms energy: -795.095286 where: bonds (distance) C4'-P energy: -122.054 bonds (distance) P-C4' energy: -158.272 flat angles C4'-P-C4' energy: -173.207 flat angles P-C4'-P energy: -116.738 tors. eta vs tors. theta energy: -224.823 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: 10, replica: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -2788.229989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.229989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.229989 (E_RNA) where: Base-Base interactions energy: -2031.329 where: short stacking energy: -801.372 Base-Backbone interact. energy: 0.097 local terms energy: -756.998171 where: bonds (distance) C4'-P energy: -125.626 bonds (distance) P-C4' energy: -144.599 flat angles C4'-P-C4' energy: -177.536 flat angles P-C4'-P energy: -95.805 tors. eta vs tors. theta energy: -213.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3873.499392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3873.499392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3873.499392 (E_RNA) where: Base-Base interactions energy: -2837.915 where: short stacking energy: -1094.313 Base-Backbone interact. energy: 1.779 local terms energy: -1037.363137 where: bonds (distance) C4'-P energy: -175.483 bonds (distance) P-C4' energy: -180.350 flat angles C4'-P-C4' energy: -217.847 flat angles P-C4'-P energy: -148.224 tors. eta vs tors. theta energy: -315.460 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: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -3791.985107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3791.985107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3791.985107 (E_RNA) where: Base-Base interactions energy: -2780.453 where: short stacking energy: -1075.266 Base-Backbone interact. energy: -3.736 local terms energy: -1007.796211 where: bonds (distance) C4'-P energy: -173.458 bonds (distance) P-C4' energy: -175.512 flat angles C4'-P-C4' energy: -202.574 flat angles P-C4'-P energy: -147.531 tors. eta vs tors. theta energy: -308.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -3643.438639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3643.438639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3643.438639 (E_RNA) where: Base-Base interactions energy: -2654.936 where: short stacking energy: -1024.948 Base-Backbone interact. energy: -1.729 local terms energy: -986.773885 where: bonds (distance) C4'-P energy: -177.530 bonds (distance) P-C4' energy: -152.064 flat angles C4'-P-C4' energy: -212.662 flat angles P-C4'-P energy: -153.160 tors. eta vs tors. theta energy: -291.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -3555.887430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3555.887430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3555.887430 (E_RNA) where: Base-Base interactions energy: -2589.631 where: short stacking energy: -1002.433 Base-Backbone interact. energy: 1.309 local terms energy: -967.564902 where: bonds (distance) C4'-P energy: -148.914 bonds (distance) P-C4' energy: -172.582 flat angles C4'-P-C4' energy: -219.071 flat angles P-C4'-P energy: -141.195 tors. eta vs tors. theta energy: -285.803 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: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -3515.178776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.178776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.178776 (E_RNA) where: Base-Base interactions energy: -2579.596 where: short stacking energy: -992.836 Base-Backbone interact. energy: -2.255 local terms energy: -933.327339 where: bonds (distance) C4'-P energy: -148.669 bonds (distance) P-C4' energy: -157.428 flat angles C4'-P-C4' energy: -209.158 flat angles P-C4'-P energy: -129.184 tors. eta vs tors. theta energy: -288.888 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: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -3324.104055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.104055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.104055 (E_RNA) where: Base-Base interactions energy: -2413.969 where: short stacking energy: -958.605 Base-Backbone interact. energy: 0.405 local terms energy: -910.540508 where: bonds (distance) C4'-P energy: -165.672 bonds (distance) P-C4' energy: -153.618 flat angles C4'-P-C4' energy: -178.766 flat angles P-C4'-P energy: -130.163 tors. eta vs tors. theta energy: -282.322 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: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -3216.983077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.983077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.983077 (E_RNA) where: Base-Base interactions energy: -2361.862 where: short stacking energy: -902.838 Base-Backbone interact. energy: 5.998 local terms energy: -861.119856 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -145.405 flat angles C4'-P-C4' energy: -190.772 flat angles P-C4'-P energy: -139.301 tors. eta vs tors. theta energy: -256.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -3164.553372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.553372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.553372 (E_RNA) where: Base-Base interactions energy: -2334.620 where: short stacking energy: -886.777 Base-Backbone interact. energy: -2.122 local terms energy: -827.811207 where: bonds (distance) C4'-P energy: -129.641 bonds (distance) P-C4' energy: -161.626 flat angles C4'-P-C4' energy: -182.927 flat angles P-C4'-P energy: -99.296 tors. eta vs tors. theta energy: -254.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -2848.790894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.790894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.790894 (E_RNA) where: Base-Base interactions energy: -2055.038 where: short stacking energy: -810.311 Base-Backbone interact. energy: -0.176 local terms energy: -793.576509 where: bonds (distance) C4'-P energy: -131.082 bonds (distance) P-C4' energy: -158.187 flat angles C4'-P-C4' energy: -182.539 flat angles P-C4'-P energy: -87.713 tors. eta vs tors. theta energy: -234.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -2770.321333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.321333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.321333 (E_RNA) where: Base-Base interactions energy: -1993.830 where: short stacking energy: -757.679 Base-Backbone interact. energy: -1.528 local terms energy: -774.962808 where: bonds (distance) C4'-P energy: -137.822 bonds (distance) P-C4' energy: -152.736 flat angles C4'-P-C4' energy: -163.059 flat angles P-C4'-P energy: -102.889 tors. eta vs tors. theta energy: -218.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3869.448848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3869.448848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3869.448848 (E_RNA) where: Base-Base interactions energy: -2828.451 where: short stacking energy: -1082.294 Base-Backbone interact. energy: -3.315 local terms energy: -1037.682153 where: bonds (distance) C4'-P energy: -160.916 bonds (distance) P-C4' energy: -186.049 flat angles C4'-P-C4' energy: -227.485 flat angles P-C4'-P energy: -154.574 tors. eta vs tors. theta energy: -308.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -3812.038871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3812.038871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3812.038871 (E_RNA) where: Base-Base interactions energy: -2778.832 where: short stacking energy: -1071.465 Base-Backbone interact. energy: -1.068 local terms energy: -1032.139107 where: bonds (distance) C4'-P energy: -180.565 bonds (distance) P-C4' energy: -187.755 flat angles C4'-P-C4' energy: -220.233 flat angles P-C4'-P energy: -136.046 tors. eta vs tors. theta energy: -307.540 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: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -3680.419260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3680.419260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3680.419260 (E_RNA) where: Base-Base interactions energy: -2684.793 where: short stacking energy: -1058.415 Base-Backbone interact. energy: -1.967 local terms energy: -993.659599 where: bonds (distance) C4'-P energy: -160.333 bonds (distance) P-C4' energy: -173.732 flat angles C4'-P-C4' energy: -217.926 flat angles P-C4'-P energy: -139.976 tors. eta vs tors. theta energy: -301.693 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: 291 Temperature: 1.050000 Total energy: -3578.829605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3578.829605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3578.829605 (E_RNA) where: Base-Base interactions energy: -2588.179 where: short stacking energy: -1012.886 Base-Backbone interact. energy: -4.184 local terms energy: -986.467079 where: bonds (distance) C4'-P energy: -176.097 bonds (distance) P-C4' energy: -176.146 flat angles C4'-P-C4' energy: -207.693 flat angles P-C4'-P energy: -135.234 tors. eta vs tors. theta energy: -291.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -3496.526222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3496.526222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3496.526222 (E_RNA) where: Base-Base interactions energy: -2578.020 where: short stacking energy: -1020.236 Base-Backbone interact. energy: 2.689 local terms energy: -921.196028 where: bonds (distance) C4'-P energy: -147.837 bonds (distance) P-C4' energy: -143.530 flat angles C4'-P-C4' energy: -206.849 flat angles P-C4'-P energy: -128.561 tors. eta vs tors. theta energy: -294.419 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: 291 Temperature: 1.150000 Total energy: -3302.415750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.415750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.415750 (E_RNA) where: Base-Base interactions energy: -2380.158 where: short stacking energy: -925.517 Base-Backbone interact. energy: -0.981 local terms energy: -921.277119 where: bonds (distance) C4'-P energy: -161.579 bonds (distance) P-C4' energy: -152.958 flat angles C4'-P-C4' energy: -194.504 flat angles P-C4'-P energy: -146.742 tors. eta vs tors. theta energy: -265.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -3213.823487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.823487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.823487 (E_RNA) where: Base-Base interactions energy: -2337.727 where: short stacking energy: -911.592 Base-Backbone interact. energy: 3.979 local terms energy: -880.075274 where: bonds (distance) C4'-P energy: -150.290 bonds (distance) P-C4' energy: -153.965 flat angles C4'-P-C4' energy: -190.491 flat angles P-C4'-P energy: -126.156 tors. eta vs tors. theta energy: -259.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -3206.906825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.906825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.906825 (E_RNA) where: Base-Base interactions energy: -2371.575 where: short stacking energy: -947.706 Base-Backbone interact. energy: 1.064 local terms energy: -836.395657 where: bonds (distance) C4'-P energy: -138.224 bonds (distance) P-C4' energy: -142.656 flat angles C4'-P-C4' energy: -182.912 flat angles P-C4'-P energy: -111.882 tors. eta vs tors. theta energy: -260.722 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: 291 Temperature: 1.300000 Total energy: -2825.014794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.014794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.014794 (E_RNA) where: Base-Base interactions energy: -2019.172 where: short stacking energy: -818.635 Base-Backbone interact. energy: -2.617 local terms energy: -803.225664 where: bonds (distance) C4'-P energy: -116.696 bonds (distance) P-C4' energy: -141.709 flat angles C4'-P-C4' energy: -182.614 flat angles P-C4'-P energy: -122.801 tors. eta vs tors. theta energy: -239.406 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: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -2836.661775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.661775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.661775 (E_RNA) where: Base-Base interactions energy: -2024.482 where: short stacking energy: -776.185 Base-Backbone interact. energy: 2.999 local terms energy: -815.178509 where: bonds (distance) C4'-P energy: -152.336 bonds (distance) P-C4' energy: -166.488 flat angles C4'-P-C4' energy: -170.351 flat angles P-C4'-P energy: -106.448 tors. eta vs tors. theta energy: -219.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3876.415149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3876.415149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3876.415149 (E_RNA) where: Base-Base interactions energy: -2840.765 where: short stacking energy: -1092.806 Base-Backbone interact. energy: -1.619 local terms energy: -1034.031009 where: bonds (distance) C4'-P energy: -178.283 bonds (distance) P-C4' energy: -171.429 flat angles C4'-P-C4' energy: -225.872 flat angles P-C4'-P energy: -148.987 tors. eta vs tors. theta energy: -309.460 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: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -3791.635996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3791.635996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3791.635996 (E_RNA) where: Base-Base interactions energy: -2784.151 where: short stacking energy: -1081.694 Base-Backbone interact. energy: -4.890 local terms energy: -1002.594635 where: bonds (distance) C4'-P energy: -168.207 bonds (distance) P-C4' energy: -174.114 flat angles C4'-P-C4' energy: -215.290 flat angles P-C4'-P energy: -134.830 tors. eta vs tors. theta energy: -310.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -3670.496125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3670.496125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3670.496125 (E_RNA) where: Base-Base interactions energy: -2675.730 where: short stacking energy: -1027.239 Base-Backbone interact. energy: 0.254 local terms energy: -995.020263 where: bonds (distance) C4'-P energy: -177.989 bonds (distance) P-C4' energy: -167.264 flat angles C4'-P-C4' energy: -208.068 flat angles P-C4'-P energy: -147.809 tors. eta vs tors. theta energy: -293.891 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: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -3575.144916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3575.144916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3575.144916 (E_RNA) where: Base-Base interactions energy: -2634.433 where: short stacking energy: -1019.934 Base-Backbone interact. energy: -3.120 local terms energy: -937.591376 where: bonds (distance) C4'-P energy: -133.552 bonds (distance) P-C4' energy: -162.769 flat angles C4'-P-C4' energy: -215.513 flat angles P-C4'-P energy: -133.232 tors. eta vs tors. theta energy: -292.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -3491.788450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3491.788450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3491.788450 (E_RNA) where: Base-Base interactions energy: -2569.290 where: short stacking energy: -988.875 Base-Backbone interact. energy: -2.283 local terms energy: -920.214953 where: bonds (distance) C4'-P energy: -172.763 bonds (distance) P-C4' energy: -167.434 flat angles C4'-P-C4' energy: -195.470 flat angles P-C4'-P energy: -113.121 tors. eta vs tors. theta energy: -271.428 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: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -3258.908580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.908580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.908580 (E_RNA) where: Base-Base interactions energy: -2357.673 where: short stacking energy: -900.102 Base-Backbone interact. energy: -2.393 local terms energy: -898.842255 where: bonds (distance) C4'-P energy: -162.411 bonds (distance) P-C4' energy: -162.156 flat angles C4'-P-C4' energy: -194.852 flat angles P-C4'-P energy: -108.212 tors. eta vs tors. theta energy: -271.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -3269.056851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.056851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.056851 (E_RNA) where: Base-Base interactions energy: -2387.151 where: short stacking energy: -931.270 Base-Backbone interact. energy: -1.149 local terms energy: -880.756955 where: bonds (distance) C4'-P energy: -144.681 bonds (distance) P-C4' energy: -145.696 flat angles C4'-P-C4' energy: -200.183 flat angles P-C4'-P energy: -109.021 tors. eta vs tors. theta energy: -281.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -3125.800295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.800295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.800295 (E_RNA) where: Base-Base interactions energy: -2279.810 where: short stacking energy: -873.452 Base-Backbone interact. energy: 2.086 local terms energy: -848.075718 where: bonds (distance) C4'-P energy: -129.621 bonds (distance) P-C4' energy: -150.326 flat angles C4'-P-C4' energy: -187.393 flat angles P-C4'-P energy: -133.681 tors. eta vs tors. theta energy: -247.055 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: 292 Temperature: 1.300000 Total energy: -2811.933433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.933433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.933433 (E_RNA) where: Base-Base interactions energy: -1998.204 where: short stacking energy: -793.713 Base-Backbone interact. energy: -2.435 local terms energy: -811.294514 where: bonds (distance) C4'-P energy: -145.714 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -169.806 flat angles P-C4'-P energy: -130.212 tors. eta vs tors. theta energy: -221.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -2789.553034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.553034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.553034 (E_RNA) where: Base-Base interactions energy: -2006.719 where: short stacking energy: -769.895 Base-Backbone interact. energy: -1.006 local terms energy: -781.828684 where: bonds (distance) C4'-P energy: -151.913 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -168.341 flat angles P-C4'-P energy: -114.314 tors. eta vs tors. theta energy: -202.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3881.188875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3881.188875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3881.188875 (E_RNA) where: Base-Base interactions energy: -2822.181 where: short stacking energy: -1091.503 Base-Backbone interact. energy: -0.242 local terms energy: -1058.765681 where: bonds (distance) C4'-P energy: -177.269 bonds (distance) P-C4' energy: -190.943 flat angles C4'-P-C4' energy: -224.139 flat angles P-C4'-P energy: -144.785 tors. eta vs tors. theta energy: -321.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -3794.135434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3794.135434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3794.135434 (E_RNA) where: Base-Base interactions energy: -2774.178 where: short stacking energy: -1081.037 Base-Backbone interact. energy: 1.463 local terms energy: -1021.420111 where: bonds (distance) C4'-P energy: -162.208 bonds (distance) P-C4' energy: -193.998 flat angles C4'-P-C4' energy: -212.769 flat angles P-C4'-P energy: -142.016 tors. eta vs tors. theta energy: -310.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -3670.109440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3670.109440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3670.109440 (E_RNA) where: Base-Base interactions energy: -2657.573 where: short stacking energy: -1027.778 Base-Backbone interact. energy: -1.180 local terms energy: -1011.356079 where: bonds (distance) C4'-P energy: -163.815 bonds (distance) P-C4' energy: -191.358 flat angles C4'-P-C4' energy: -222.871 flat angles P-C4'-P energy: -137.907 tors. eta vs tors. theta energy: -295.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -3618.018320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3618.018320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3618.018320 (E_RNA) where: Base-Base interactions energy: -2624.311 where: short stacking energy: -1012.394 Base-Backbone interact. energy: -1.068 local terms energy: -992.639541 where: bonds (distance) C4'-P energy: -180.759 bonds (distance) P-C4' energy: -168.918 flat angles C4'-P-C4' energy: -195.111 flat angles P-C4'-P energy: -152.352 tors. eta vs tors. theta energy: -295.500 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: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -3513.139322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3513.139322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3513.139322 (E_RNA) where: Base-Base interactions energy: -2574.217 where: short stacking energy: -978.490 Base-Backbone interact. energy: 0.320 local terms energy: -939.242266 where: bonds (distance) C4'-P energy: -157.177 bonds (distance) P-C4' energy: -179.118 flat angles C4'-P-C4' energy: -204.131 flat angles P-C4'-P energy: -124.843 tors. eta vs tors. theta energy: -273.973 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: 293 Temperature: 1.150000 Total energy: -3311.946546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3311.946546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3311.946546 (E_RNA) where: Base-Base interactions energy: -2405.112 where: short stacking energy: -931.499 Base-Backbone interact. energy: -1.900 local terms energy: -904.934644 where: bonds (distance) C4'-P energy: -140.801 bonds (distance) P-C4' energy: -182.027 flat angles C4'-P-C4' energy: -196.546 flat angles P-C4'-P energy: -118.250 tors. eta vs tors. theta energy: -267.311 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -3235.814299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.814299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.814299 (E_RNA) where: Base-Base interactions energy: -2349.420 where: short stacking energy: -915.796 Base-Backbone interact. energy: -1.908 local terms energy: -884.485516 where: bonds (distance) C4'-P energy: -134.918 bonds (distance) P-C4' energy: -150.211 flat angles C4'-P-C4' energy: -209.916 flat angles P-C4'-P energy: -123.089 tors. eta vs tors. theta energy: -266.352 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: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -3099.976906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.976906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.976906 (E_RNA) where: Base-Base interactions energy: -2277.720 where: short stacking energy: -869.563 Base-Backbone interact. energy: -1.305 local terms energy: -820.952632 where: bonds (distance) C4'-P energy: -125.087 bonds (distance) P-C4' energy: -142.877 flat angles C4'-P-C4' energy: -190.213 flat angles P-C4'-P energy: -115.426 tors. eta vs tors. theta energy: -247.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -2811.869923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.869923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.869923 (E_RNA) where: Base-Base interactions energy: -1993.413 where: short stacking energy: -777.777 Base-Backbone interact. energy: -2.070 local terms energy: -816.386554 where: bonds (distance) C4'-P energy: -152.107 bonds (distance) P-C4' energy: -142.777 flat angles C4'-P-C4' energy: -179.676 flat angles P-C4'-P energy: -119.266 tors. eta vs tors. theta energy: -222.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -2729.015506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.015506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.015506 (E_RNA) where: Base-Base interactions energy: -1942.635 where: short stacking energy: -748.614 Base-Backbone interact. energy: -2.565 local terms energy: -783.815815 where: bonds (distance) C4'-P energy: -140.259 bonds (distance) P-C4' energy: -160.730 flat angles C4'-P-C4' energy: -160.515 flat angles P-C4'-P energy: -105.807 tors. eta vs tors. theta energy: -216.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3923.381266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3923.381266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3923.381266 (E_RNA) where: Base-Base interactions energy: -2853.918 where: short stacking energy: -1093.700 Base-Backbone interact. energy: 0.462 local terms energy: -1069.925266 where: bonds (distance) C4'-P energy: -178.243 bonds (distance) P-C4' energy: -199.450 flat angles C4'-P-C4' energy: -226.593 flat angles P-C4'-P energy: -150.147 tors. eta vs tors. theta energy: -315.493 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -3823.660103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.660103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.660103 (E_RNA) where: Base-Base interactions energy: -2800.754 where: short stacking energy: -1064.467 Base-Backbone interact. energy: -1.426 local terms energy: -1021.480520 where: bonds (distance) C4'-P energy: -176.075 bonds (distance) P-C4' energy: -190.114 flat angles C4'-P-C4' energy: -208.388 flat angles P-C4'-P energy: -145.504 tors. eta vs tors. theta energy: -301.399 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: 294 Temperature: 1.000000 Total energy: -3639.248503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3639.248503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3639.248503 (E_RNA) where: Base-Base interactions energy: -2638.214 where: short stacking energy: -1009.602 Base-Backbone interact. energy: -2.766 local terms energy: -998.268960 where: bonds (distance) C4'-P energy: -179.966 bonds (distance) P-C4' energy: -150.501 flat angles C4'-P-C4' energy: -211.180 flat angles P-C4'-P energy: -152.974 tors. eta vs tors. theta energy: -303.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -3621.334253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3621.334253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3621.334253 (E_RNA) where: Base-Base interactions energy: -2648.193 where: short stacking energy: -1037.406 Base-Backbone interact. energy: -2.972 local terms energy: -970.169987 where: bonds (distance) C4'-P energy: -162.798 bonds (distance) P-C4' energy: -175.676 flat angles C4'-P-C4' energy: -195.677 flat angles P-C4'-P energy: -132.523 tors. eta vs tors. theta energy: -303.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -3522.970068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3522.970068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3522.970068 (E_RNA) where: Base-Base interactions energy: -2599.072 where: short stacking energy: -994.294 Base-Backbone interact. energy: -2.438 local terms energy: -921.460578 where: bonds (distance) C4'-P energy: -167.837 bonds (distance) P-C4' energy: -166.325 flat angles C4'-P-C4' energy: -187.997 flat angles P-C4'-P energy: -125.697 tors. eta vs tors. theta energy: -273.605 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: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -3326.927079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.927079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.927079 (E_RNA) where: Base-Base interactions energy: -2430.902 where: short stacking energy: -913.341 Base-Backbone interact. energy: -3.755 local terms energy: -892.269912 where: bonds (distance) C4'-P energy: -152.471 bonds (distance) P-C4' energy: -152.270 flat angles C4'-P-C4' energy: -203.855 flat angles P-C4'-P energy: -124.046 tors. eta vs tors. theta energy: -259.627 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: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -3200.840581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.840581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.840581 (E_RNA) where: Base-Base interactions energy: -2323.768 where: short stacking energy: -892.026 Base-Backbone interact. energy: -1.446 local terms energy: -875.626280 where: bonds (distance) C4'-P energy: -145.784 bonds (distance) P-C4' energy: -148.858 flat angles C4'-P-C4' energy: -204.051 flat angles P-C4'-P energy: -113.834 tors. eta vs tors. theta energy: -263.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -3152.906836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.906836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.906836 (E_RNA) where: Base-Base interactions energy: -2294.257 where: short stacking energy: -897.937 Base-Backbone interact. energy: 2.974 local terms energy: -861.623394 where: bonds (distance) C4'-P energy: -139.157 bonds (distance) P-C4' energy: -149.136 flat angles C4'-P-C4' energy: -190.133 flat angles P-C4'-P energy: -123.903 tors. eta vs tors. theta energy: -259.295 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: 294 Temperature: 1.300000 Total energy: -2801.895813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.895813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.895813 (E_RNA) where: Base-Base interactions energy: -2009.390 where: short stacking energy: -781.940 Base-Backbone interact. energy: 2.762 local terms energy: -795.268441 where: bonds (distance) C4'-P energy: -150.368 bonds (distance) P-C4' energy: -160.460 flat angles C4'-P-C4' energy: -172.145 flat angles P-C4'-P energy: -104.360 tors. eta vs tors. theta energy: -207.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -2709.800881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.800881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.800881 (E_RNA) where: Base-Base interactions energy: -1969.470 where: short stacking energy: -783.966 Base-Backbone interact. energy: 2.409 local terms energy: -742.739520 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -138.883 flat angles C4'-P-C4' energy: -168.654 flat angles P-C4'-P energy: -95.327 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: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3898.839571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.839571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3898.839571 (E_RNA) where: Base-Base interactions energy: -2810.193 where: short stacking energy: -1077.544 Base-Backbone interact. energy: 0.554 local terms energy: -1089.200197 where: bonds (distance) C4'-P energy: -190.229 bonds (distance) P-C4' energy: -201.499 flat angles C4'-P-C4' energy: -228.515 flat angles P-C4'-P energy: -148.662 tors. eta vs tors. theta energy: -320.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -3822.221479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3822.221479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3822.221479 (E_RNA) where: Base-Base interactions energy: -2766.541 where: short stacking energy: -1051.178 Base-Backbone interact. energy: -2.491 local terms energy: -1053.189453 where: bonds (distance) C4'-P energy: -188.057 bonds (distance) P-C4' energy: -192.649 flat angles C4'-P-C4' energy: -210.374 flat angles P-C4'-P energy: -155.440 tors. eta vs tors. theta energy: -306.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -3667.714839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3667.714839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3667.714839 (E_RNA) where: Base-Base interactions energy: -2666.338 where: short stacking energy: -1050.686 Base-Backbone interact. energy: 1.431 local terms energy: -1002.807517 where: bonds (distance) C4'-P energy: -187.971 bonds (distance) P-C4' energy: -142.956 flat angles C4'-P-C4' energy: -218.786 flat angles P-C4'-P energy: -154.044 tors. eta vs tors. theta energy: -299.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -3590.889207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3590.889207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3590.889207 (E_RNA) where: Base-Base interactions energy: -2591.617 where: short stacking energy: -1013.533 Base-Backbone interact. energy: -1.761 local terms energy: -997.510861 where: bonds (distance) C4'-P energy: -175.867 bonds (distance) P-C4' energy: -167.433 flat angles C4'-P-C4' energy: -211.997 flat angles P-C4'-P energy: -155.447 tors. eta vs tors. theta energy: -286.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -3515.175497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.175497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.175497 (E_RNA) where: Base-Base interactions energy: -2572.940 where: short stacking energy: -999.832 Base-Backbone interact. energy: 5.737 local terms energy: -947.972774 where: bonds (distance) C4'-P energy: -167.426 bonds (distance) P-C4' energy: -176.088 flat angles C4'-P-C4' energy: -181.824 flat angles P-C4'-P energy: -133.905 tors. eta vs tors. theta energy: -288.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -3364.318190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.318190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.318190 (E_RNA) where: Base-Base interactions energy: -2448.741 where: short stacking energy: -947.580 Base-Backbone interact. energy: 5.416 local terms energy: -920.992854 where: bonds (distance) C4'-P energy: -152.255 bonds (distance) P-C4' energy: -165.064 flat angles C4'-P-C4' energy: -208.915 flat angles P-C4'-P energy: -116.578 tors. eta vs tors. theta energy: -278.182 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: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -3238.614456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.614456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.614456 (E_RNA) where: Base-Base interactions energy: -2327.164 where: short stacking energy: -910.890 Base-Backbone interact. energy: 2.099 local terms energy: -913.549803 where: bonds (distance) C4'-P energy: -164.752 bonds (distance) P-C4' energy: -138.536 flat angles C4'-P-C4' energy: -203.096 flat angles P-C4'-P energy: -124.272 tors. eta vs tors. theta energy: -282.895 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: 295 Temperature: 1.250000 Total energy: -3096.754107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.754107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.754107 (E_RNA) where: Base-Base interactions energy: -2284.278 where: short stacking energy: -897.355 Base-Backbone interact. energy: 1.711 local terms energy: -814.187320 where: bonds (distance) C4'-P energy: -147.065 bonds (distance) P-C4' energy: -148.521 flat angles C4'-P-C4' energy: -172.885 flat angles P-C4'-P energy: -109.173 tors. eta vs tors. theta energy: -236.543 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: 9, replica: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -2797.114249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.114249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.114249 (E_RNA) where: Base-Base interactions energy: -2003.097 where: short stacking energy: -784.704 Base-Backbone interact. energy: -1.596 local terms energy: -792.422128 where: bonds (distance) C4'-P energy: -141.554 bonds (distance) P-C4' energy: -131.549 flat angles C4'-P-C4' energy: -178.244 flat angles P-C4'-P energy: -112.732 tors. eta vs tors. theta energy: -228.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -2785.293267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.293267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.293267 (E_RNA) where: Base-Base interactions energy: -2020.129 where: short stacking energy: -786.575 Base-Backbone interact. energy: 2.165 local terms energy: -767.329367 where: bonds (distance) C4'-P energy: -123.680 bonds (distance) P-C4' energy: -151.652 flat angles C4'-P-C4' energy: -162.055 flat angles P-C4'-P energy: -114.231 tors. eta vs tors. theta energy: -215.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3890.633933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.633933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.633933 (E_RNA) where: Base-Base interactions energy: -2855.053 where: short stacking energy: -1099.236 Base-Backbone interact. energy: -1.454 local terms energy: -1034.127170 where: bonds (distance) C4'-P energy: -182.094 bonds (distance) P-C4' energy: -173.679 flat angles C4'-P-C4' energy: -218.444 flat angles P-C4'-P energy: -140.618 tors. eta vs tors. theta energy: -319.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -3819.818174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3819.818174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3819.818174 (E_RNA) where: Base-Base interactions energy: -2798.833 where: short stacking energy: -1085.541 Base-Backbone interact. energy: -2.344 local terms energy: -1018.641691 where: bonds (distance) C4'-P energy: -174.623 bonds (distance) P-C4' energy: -188.292 flat angles C4'-P-C4' energy: -214.697 flat angles P-C4'-P energy: -131.814 tors. eta vs tors. theta energy: -309.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -3655.135937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3655.135937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3655.135937 (E_RNA) where: Base-Base interactions energy: -2657.611 where: short stacking energy: -1029.748 Base-Backbone interact. energy: -1.128 local terms energy: -996.396540 where: bonds (distance) C4'-P energy: -164.776 bonds (distance) P-C4' energy: -168.786 flat angles C4'-P-C4' energy: -212.701 flat angles P-C4'-P energy: -151.772 tors. eta vs tors. theta energy: -298.362 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: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -3569.211541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3569.211541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3569.211541 (E_RNA) where: Base-Base interactions energy: -2592.493 where: short stacking energy: -1017.930 Base-Backbone interact. energy: -3.086 local terms energy: -973.631915 where: bonds (distance) C4'-P energy: -155.536 bonds (distance) P-C4' energy: -166.897 flat angles C4'-P-C4' energy: -208.510 flat angles P-C4'-P energy: -143.213 tors. eta vs tors. theta energy: -299.476 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: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -3519.257296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3519.257296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3519.257296 (E_RNA) where: Base-Base interactions energy: -2589.786 where: short stacking energy: -980.699 Base-Backbone interact. energy: -1.163 local terms energy: -928.307613 where: bonds (distance) C4'-P energy: -154.473 bonds (distance) P-C4' energy: -147.750 flat angles C4'-P-C4' energy: -202.484 flat angles P-C4'-P energy: -136.433 tors. eta vs tors. theta energy: -287.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -3282.436550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.436550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.436550 (E_RNA) where: Base-Base interactions energy: -2397.554 where: short stacking energy: -951.501 Base-Backbone interact. energy: 1.255 local terms energy: -886.137351 where: bonds (distance) C4'-P energy: -144.064 bonds (distance) P-C4' energy: -156.166 flat angles C4'-P-C4' energy: -186.558 flat angles P-C4'-P energy: -131.771 tors. eta vs tors. theta energy: -267.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -3160.848897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.848897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.848897 (E_RNA) where: Base-Base interactions energy: -2306.112 where: short stacking energy: -892.970 Base-Backbone interact. energy: -0.804 local terms energy: -853.933796 where: bonds (distance) C4'-P energy: -139.529 bonds (distance) P-C4' energy: -147.170 flat angles C4'-P-C4' energy: -188.288 flat angles P-C4'-P energy: -120.368 tors. eta vs tors. theta energy: -258.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -3127.393996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.393996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.393996 (E_RNA) where: Base-Base interactions energy: -2282.131 where: short stacking energy: -876.840 Base-Backbone interact. energy: 1.766 local terms energy: -847.029103 where: bonds (distance) C4'-P energy: -131.159 bonds (distance) P-C4' energy: -142.463 flat angles C4'-P-C4' energy: -187.810 flat angles P-C4'-P energy: -135.312 tors. eta vs tors. theta energy: -250.285 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: 9, replica: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -2829.412481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.412481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.412481 (E_RNA) where: Base-Base interactions energy: -2056.612 where: short stacking energy: -809.543 Base-Backbone interact. energy: 3.687 local terms energy: -776.487301 where: bonds (distance) C4'-P energy: -134.920 bonds (distance) P-C4' energy: -138.912 flat angles C4'-P-C4' energy: -175.482 flat angles P-C4'-P energy: -100.929 tors. eta vs tors. theta energy: -226.245 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: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -2788.500943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.500943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.500943 (E_RNA) where: Base-Base interactions energy: -2038.160 where: short stacking energy: -803.892 Base-Backbone interact. energy: -2.427 local terms energy: -747.914286 where: bonds (distance) C4'-P energy: -122.810 bonds (distance) P-C4' energy: -136.022 flat angles C4'-P-C4' energy: -167.132 flat angles P-C4'-P energy: -103.331 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: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3868.480026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3868.480026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3868.480026 (E_RNA) where: Base-Base interactions energy: -2806.651 where: short stacking energy: -1080.662 Base-Backbone interact. energy: -3.171 local terms energy: -1058.658101 where: bonds (distance) C4'-P energy: -182.420 bonds (distance) P-C4' energy: -177.405 flat angles C4'-P-C4' energy: -218.562 flat angles P-C4'-P energy: -157.794 tors. eta vs tors. theta energy: -322.478 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: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3786.789754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3786.789754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3786.789754 (E_RNA) where: Base-Base interactions energy: -2780.439 where: short stacking energy: -1076.980 Base-Backbone interact. energy: 0.038 local terms energy: -1006.388378 where: bonds (distance) C4'-P energy: -172.860 bonds (distance) P-C4' energy: -183.258 flat angles C4'-P-C4' energy: -212.916 flat angles P-C4'-P energy: -136.373 tors. eta vs tors. theta energy: -300.981 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: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -3651.544827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3651.544827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3651.544827 (E_RNA) where: Base-Base interactions energy: -2656.605 where: short stacking energy: -1041.681 Base-Backbone interact. energy: 4.719 local terms energy: -999.658262 where: bonds (distance) C4'-P energy: -171.087 bonds (distance) P-C4' energy: -162.184 flat angles C4'-P-C4' energy: -214.342 flat angles P-C4'-P energy: -145.484 tors. eta vs tors. theta energy: -306.561 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: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -3589.562593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3589.562593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3589.562593 (E_RNA) where: Base-Base interactions energy: -2625.800 where: short stacking energy: -1018.136 Base-Backbone interact. energy: 2.084 local terms energy: -965.846312 where: bonds (distance) C4'-P energy: -160.824 bonds (distance) P-C4' energy: -159.294 flat angles C4'-P-C4' energy: -213.075 flat angles P-C4'-P energy: -144.013 tors. eta vs tors. theta energy: -288.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -3534.361505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3534.361505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3534.361505 (E_RNA) where: Base-Base interactions energy: -2578.297 where: short stacking energy: -976.902 Base-Backbone interact. energy: -3.402 local terms energy: -952.662627 where: bonds (distance) C4'-P energy: -158.949 bonds (distance) P-C4' energy: -168.386 flat angles C4'-P-C4' energy: -190.247 flat angles P-C4'-P energy: -149.692 tors. eta vs tors. theta energy: -285.389 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: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -3290.181298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.181298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.181298 (E_RNA) where: Base-Base interactions energy: -2398.957 where: short stacking energy: -943.156 Base-Backbone interact. energy: -1.910 local terms energy: -889.313546 where: bonds (distance) C4'-P energy: -155.755 bonds (distance) P-C4' energy: -128.270 flat angles C4'-P-C4' energy: -200.812 flat angles P-C4'-P energy: -134.326 tors. eta vs tors. theta energy: -270.152 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: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -3247.828828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.828828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.828828 (E_RNA) where: Base-Base interactions energy: -2350.559 where: short stacking energy: -916.063 Base-Backbone interact. energy: 5.932 local terms energy: -903.202699 where: bonds (distance) C4'-P energy: -166.359 bonds (distance) P-C4' energy: -147.711 flat angles C4'-P-C4' energy: -195.261 flat angles P-C4'-P energy: -121.073 tors. eta vs tors. theta energy: -272.798 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: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -3144.479363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.479363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.479363 (E_RNA) where: Base-Base interactions energy: -2314.988 where: short stacking energy: -885.206 Base-Backbone interact. energy: 0.286 local terms energy: -829.778199 where: bonds (distance) C4'-P energy: -137.837 bonds (distance) P-C4' energy: -145.713 flat angles C4'-P-C4' energy: -169.510 flat angles P-C4'-P energy: -125.137 tors. eta vs tors. theta energy: -251.580 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: 297 Temperature: 1.300000 Total energy: -2745.447900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.447900 (E_RNA) where: Base-Base interactions energy: -1966.594 where: short stacking energy: -786.233 Base-Backbone interact. energy: -0.582 local terms energy: -778.272011 where: bonds (distance) C4'-P energy: -120.172 bonds (distance) P-C4' energy: -136.693 flat angles C4'-P-C4' energy: -195.341 flat angles P-C4'-P energy: -103.612 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: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -2713.262715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.262715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.262715 (E_RNA) where: Base-Base interactions energy: -1920.466 where: short stacking energy: -735.634 Base-Backbone interact. energy: -1.937 local terms energy: -790.860513 where: bonds (distance) C4'-P energy: -141.403 bonds (distance) P-C4' energy: -142.158 flat angles C4'-P-C4' energy: -185.895 flat angles P-C4'-P energy: -106.457 tors. eta vs tors. theta energy: -214.947 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: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3860.536156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3860.536156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3860.536156 (E_RNA) where: Base-Base interactions energy: -2806.312 where: short stacking energy: -1084.366 Base-Backbone interact. energy: -2.570 local terms energy: -1051.653559 where: bonds (distance) C4'-P energy: -178.546 bonds (distance) P-C4' energy: -190.019 flat angles C4'-P-C4' energy: -226.185 flat angles P-C4'-P energy: -139.640 tors. eta vs tors. theta energy: -317.264 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: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -3831.586356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3831.586356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3831.586356 (E_RNA) where: Base-Base interactions energy: -2810.306 where: short stacking energy: -1080.419 Base-Backbone interact. energy: 0.897 local terms energy: -1022.177523 where: bonds (distance) C4'-P energy: -165.945 bonds (distance) P-C4' energy: -176.744 flat angles C4'-P-C4' energy: -225.047 flat angles P-C4'-P energy: -146.700 tors. eta vs tors. theta energy: -307.741 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: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -3657.225040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3657.225040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3657.225040 (E_RNA) where: Base-Base interactions energy: -2687.876 where: short stacking energy: -1042.912 Base-Backbone interact. energy: 3.467 local terms energy: -972.815887 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -156.910 flat angles C4'-P-C4' energy: -216.265 flat angles P-C4'-P energy: -137.180 tors. eta vs tors. theta energy: -302.700 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: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -3582.590366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.590366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.590366 (E_RNA) where: Base-Base interactions energy: -2615.513 where: short stacking energy: -1006.591 Base-Backbone interact. energy: 2.194 local terms energy: -969.271322 where: bonds (distance) C4'-P energy: -167.389 bonds (distance) P-C4' energy: -164.684 flat angles C4'-P-C4' energy: -197.930 flat angles P-C4'-P energy: -155.352 tors. eta vs tors. theta energy: -283.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -3524.374386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3524.374386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3524.374386 (E_RNA) where: Base-Base interactions energy: -2573.938 where: short stacking energy: -976.542 Base-Backbone interact. energy: -3.395 local terms energy: -947.040483 where: bonds (distance) C4'-P energy: -159.434 bonds (distance) P-C4' energy: -162.149 flat angles C4'-P-C4' energy: -200.393 flat angles P-C4'-P energy: -150.596 tors. eta vs tors. theta energy: -274.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -3278.296804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.296804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.296804 (E_RNA) where: Base-Base interactions energy: -2377.369 where: short stacking energy: -935.598 Base-Backbone interact. energy: -1.431 local terms energy: -899.497350 where: bonds (distance) C4'-P energy: -156.086 bonds (distance) P-C4' energy: -144.942 flat angles C4'-P-C4' energy: -204.141 flat angles P-C4'-P energy: -132.193 tors. eta vs tors. theta energy: -262.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -3290.650980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.650980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.650980 (E_RNA) where: Base-Base interactions energy: -2398.412 where: short stacking energy: -931.789 Base-Backbone interact. energy: 0.770 local terms energy: -893.008797 where: bonds (distance) C4'-P energy: -148.214 bonds (distance) P-C4' energy: -163.564 flat angles C4'-P-C4' energy: -192.462 flat angles P-C4'-P energy: -111.305 tors. eta vs tors. theta energy: -277.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -3129.314837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.314837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.314837 (E_RNA) where: Base-Base interactions energy: -2261.927 where: short stacking energy: -869.496 Base-Backbone interact. energy: -1.410 local terms energy: -865.977580 where: bonds (distance) C4'-P energy: -165.080 bonds (distance) P-C4' energy: -151.990 flat angles C4'-P-C4' energy: -187.628 flat angles P-C4'-P energy: -113.500 tors. eta vs tors. theta energy: -247.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -2754.722855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.722855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.722855 (E_RNA) where: Base-Base interactions energy: -1993.389 where: short stacking energy: -774.376 Base-Backbone interact. energy: 0.104 local terms energy: -761.437724 where: bonds (distance) C4'-P energy: -117.298 bonds (distance) P-C4' energy: -129.028 flat angles C4'-P-C4' energy: -185.819 flat angles P-C4'-P energy: -109.331 tors. eta vs tors. theta energy: -219.963 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: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -2766.194205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.194205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.194205 (E_RNA) where: Base-Base interactions energy: -2007.994 where: short stacking energy: -764.720 Base-Backbone interact. energy: 2.207 local terms energy: -760.407347 where: bonds (distance) C4'-P energy: -140.377 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -168.103 flat angles P-C4'-P energy: -103.278 tors. eta vs tors. theta energy: -210.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3878.343688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3878.343688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3878.343688 (E_RNA) where: Base-Base interactions energy: -2835.391 where: short stacking energy: -1093.701 Base-Backbone interact. energy: -1.427 local terms energy: -1041.526041 where: bonds (distance) C4'-P energy: -195.151 bonds (distance) P-C4' energy: -181.810 flat angles C4'-P-C4' energy: -222.853 flat angles P-C4'-P energy: -128.129 tors. eta vs tors. theta energy: -313.583 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: 2, replica: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -3814.490528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3814.490528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3814.490528 (E_RNA) where: Base-Base interactions energy: -2776.544 where: short stacking energy: -1073.336 Base-Backbone interact. energy: 1.470 local terms energy: -1039.416573 where: bonds (distance) C4'-P energy: -188.436 bonds (distance) P-C4' energy: -183.112 flat angles C4'-P-C4' energy: -220.531 flat angles P-C4'-P energy: -142.943 tors. eta vs tors. theta energy: -304.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -3646.821547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3646.821547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3646.821547 (E_RNA) where: Base-Base interactions energy: -2644.041 where: short stacking energy: -1022.909 Base-Backbone interact. energy: 5.486 local terms energy: -1008.267476 where: bonds (distance) C4'-P energy: -170.560 bonds (distance) P-C4' energy: -180.271 flat angles C4'-P-C4' energy: -207.704 flat angles P-C4'-P energy: -145.950 tors. eta vs tors. theta energy: -303.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -3568.081935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.081935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.081935 (E_RNA) where: Base-Base interactions energy: -2592.481 where: short stacking energy: -1002.974 Base-Backbone interact. energy: 0.010 local terms energy: -975.611037 where: bonds (distance) C4'-P energy: -171.189 bonds (distance) P-C4' energy: -159.255 flat angles C4'-P-C4' energy: -219.941 flat angles P-C4'-P energy: -154.566 tors. eta vs tors. theta energy: -270.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -3497.533720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3497.533720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3497.533720 (E_RNA) where: Base-Base interactions energy: -2574.867 where: short stacking energy: -1002.932 Base-Backbone interact. energy: -1.053 local terms energy: -921.613397 where: bonds (distance) C4'-P energy: -149.221 bonds (distance) P-C4' energy: -154.776 flat angles C4'-P-C4' energy: -194.346 flat angles P-C4'-P energy: -128.883 tors. eta vs tors. theta energy: -294.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -3288.453018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.453018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.453018 (E_RNA) where: Base-Base interactions energy: -2389.938 where: short stacking energy: -932.644 Base-Backbone interact. energy: -2.525 local terms energy: -895.990508 where: bonds (distance) C4'-P energy: -144.062 bonds (distance) P-C4' energy: -166.843 flat angles C4'-P-C4' energy: -181.781 flat angles P-C4'-P energy: -127.771 tors. eta vs tors. theta energy: -275.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -3233.341286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.341286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.341286 (E_RNA) where: Base-Base interactions energy: -2352.553 where: short stacking energy: -919.497 Base-Backbone interact. energy: 0.220 local terms energy: -881.007845 where: bonds (distance) C4'-P energy: -146.830 bonds (distance) P-C4' energy: -153.033 flat angles C4'-P-C4' energy: -192.825 flat angles P-C4'-P energy: -127.970 tors. eta vs tors. theta energy: -260.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -3123.942291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.942291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.942291 (E_RNA) where: Base-Base interactions energy: -2313.778 where: short stacking energy: -862.549 Base-Backbone interact. energy: 0.107 local terms energy: -810.270916 where: bonds (distance) C4'-P energy: -134.909 bonds (distance) P-C4' energy: -138.723 flat angles C4'-P-C4' energy: -176.782 flat angles P-C4'-P energy: -111.677 tors. eta vs tors. theta energy: -248.180 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: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -2730.682536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.682536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.682536 (E_RNA) where: Base-Base interactions energy: -1926.062 where: short stacking energy: -784.218 Base-Backbone interact. energy: 2.586 local terms energy: -807.206333 where: bonds (distance) C4'-P energy: -155.135 bonds (distance) P-C4' energy: -150.621 flat angles C4'-P-C4' energy: -171.206 flat angles P-C4'-P energy: -103.267 tors. eta vs tors. theta energy: -226.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -2816.948721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.948721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.948721 (E_RNA) where: Base-Base interactions energy: -2013.216 where: short stacking energy: -798.188 Base-Backbone interact. energy: -1.985 local terms energy: -801.747984 where: bonds (distance) C4'-P energy: -151.834 bonds (distance) P-C4' energy: -162.451 flat angles C4'-P-C4' energy: -170.561 flat angles P-C4'-P energy: -96.547 tors. eta vs tors. theta energy: -220.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3873.988147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3873.988147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3873.988147 (E_RNA) where: Base-Base interactions energy: -2807.061 where: short stacking energy: -1091.232 Base-Backbone interact. energy: -1.756 local terms energy: -1065.170667 where: bonds (distance) C4'-P energy: -190.865 bonds (distance) P-C4' energy: -181.987 flat angles C4'-P-C4' energy: -216.686 flat angles P-C4'-P energy: -159.669 tors. eta vs tors. theta energy: -315.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -3789.603420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3789.603420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3789.603420 (E_RNA) where: Base-Base interactions energy: -2734.213 where: short stacking energy: -1054.393 Base-Backbone interact. energy: 0.342 local terms energy: -1055.731727 where: bonds (distance) C4'-P energy: -189.564 bonds (distance) P-C4' energy: -181.040 flat angles C4'-P-C4' energy: -217.036 flat angles P-C4'-P energy: -157.267 tors. eta vs tors. theta energy: -310.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -3656.121013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.121013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.121013 (E_RNA) where: Base-Base interactions energy: -2645.294 where: short stacking energy: -1043.746 Base-Backbone interact. energy: -1.717 local terms energy: -1009.109892 where: bonds (distance) C4'-P energy: -186.380 bonds (distance) P-C4' energy: -183.386 flat angles C4'-P-C4' energy: -200.316 flat angles P-C4'-P energy: -144.091 tors. eta vs tors. theta energy: -294.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -3563.866444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3563.866444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3563.866444 (E_RNA) where: Base-Base interactions energy: -2589.208 where: short stacking energy: -994.307 Base-Backbone interact. energy: -0.356 local terms energy: -974.302652 where: bonds (distance) C4'-P energy: -171.400 bonds (distance) P-C4' energy: -144.526 flat angles C4'-P-C4' energy: -220.485 flat angles P-C4'-P energy: -145.221 tors. eta vs tors. theta energy: -292.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -3511.910997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3511.910997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3511.910997 (E_RNA) where: Base-Base interactions energy: -2585.260 where: short stacking energy: -1001.464 Base-Backbone interact. energy: -2.597 local terms energy: -924.054269 where: bonds (distance) C4'-P energy: -153.366 bonds (distance) P-C4' energy: -150.698 flat angles C4'-P-C4' energy: -200.542 flat angles P-C4'-P energy: -125.616 tors. eta vs tors. theta energy: -293.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -3289.900746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.900746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.900746 (E_RNA) where: Base-Base interactions energy: -2373.558 where: short stacking energy: -930.572 Base-Backbone interact. energy: -1.291 local terms energy: -915.051040 where: bonds (distance) C4'-P energy: -162.453 bonds (distance) P-C4' energy: -166.501 flat angles C4'-P-C4' energy: -197.100 flat angles P-C4'-P energy: -118.589 tors. eta vs tors. theta energy: -270.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -3250.674203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.674203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.674203 (E_RNA) where: Base-Base interactions energy: -2375.392 where: short stacking energy: -925.582 Base-Backbone interact. energy: 0.737 local terms energy: -876.018422 where: bonds (distance) C4'-P energy: -136.426 bonds (distance) P-C4' energy: -146.887 flat angles C4'-P-C4' energy: -192.659 flat angles P-C4'-P energy: -123.634 tors. eta vs tors. theta energy: -276.412 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: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -3107.873027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.873027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.873027 (E_RNA) where: Base-Base interactions energy: -2293.922 where: short stacking energy: -874.250 Base-Backbone interact. energy: -1.360 local terms energy: -812.591493 where: bonds (distance) C4'-P energy: -139.796 bonds (distance) P-C4' energy: -129.566 flat angles C4'-P-C4' energy: -181.038 flat angles P-C4'-P energy: -115.629 tors. eta vs tors. theta energy: -246.562 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: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -2843.096194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.096194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.096194 (E_RNA) where: Base-Base interactions energy: -2095.857 where: short stacking energy: -822.462 Base-Backbone interact. energy: 2.602 local terms energy: -749.841596 where: bonds (distance) C4'-P energy: -124.545 bonds (distance) P-C4' energy: -135.189 flat angles C4'-P-C4' energy: -160.323 flat angles P-C4'-P energy: -96.837 tors. eta vs tors. theta energy: -232.948 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: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -2696.065533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.065533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.065533 (E_RNA) where: Base-Base interactions energy: -1945.908 where: short stacking energy: -786.300 Base-Backbone interact. energy: 6.473 local terms energy: -756.630064 where: bonds (distance) C4'-P energy: -132.011 bonds (distance) P-C4' energy: -138.769 flat angles C4'-P-C4' energy: -186.274 flat angles P-C4'-P energy: -91.196 tors. eta vs tors. theta energy: -208.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3892.824869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3892.824869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3892.824869 (E_RNA) where: Base-Base interactions energy: -2832.966 where: short stacking energy: -1080.173 Base-Backbone interact. energy: -1.182 local terms energy: -1058.677027 where: bonds (distance) C4'-P energy: -182.021 bonds (distance) P-C4' energy: -184.431 flat angles C4'-P-C4' energy: -223.327 flat angles P-C4'-P energy: -155.569 tors. eta vs tors. theta energy: -313.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -3779.418816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3779.418816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3779.418816 (E_RNA) where: Base-Base interactions energy: -2763.551 where: short stacking energy: -1065.688 Base-Backbone interact. energy: -2.548 local terms energy: -1013.319265 where: bonds (distance) C4'-P energy: -167.629 bonds (distance) P-C4' energy: -173.758 flat angles C4'-P-C4' energy: -220.114 flat angles P-C4'-P energy: -147.285 tors. eta vs tors. theta energy: -304.533 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: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -3644.905467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3644.905467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3644.905467 (E_RNA) where: Base-Base interactions energy: -2631.486 where: short stacking energy: -1011.340 Base-Backbone interact. energy: -2.430 local terms energy: -1010.990187 where: bonds (distance) C4'-P energy: -176.673 bonds (distance) P-C4' energy: -184.717 flat angles C4'-P-C4' energy: -202.921 flat angles P-C4'-P energy: -154.320 tors. eta vs tors. theta energy: -292.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -3593.652923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3593.652923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3593.652923 (E_RNA) where: Base-Base interactions energy: -2600.089 where: short stacking energy: -1007.374 Base-Backbone interact. energy: -1.239 local terms energy: -992.325717 where: bonds (distance) C4'-P energy: -177.596 bonds (distance) P-C4' energy: -170.811 flat angles C4'-P-C4' energy: -202.491 flat angles P-C4'-P energy: -153.323 tors. eta vs tors. theta energy: -288.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -3548.505324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3548.505324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3548.505324 (E_RNA) where: Base-Base interactions energy: -2565.993 where: short stacking energy: -987.906 Base-Backbone interact. energy: 0.491 local terms energy: -983.003379 where: bonds (distance) C4'-P energy: -159.390 bonds (distance) P-C4' energy: -173.573 flat angles C4'-P-C4' energy: -212.845 flat angles P-C4'-P energy: -142.561 tors. eta vs tors. theta energy: -294.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -3290.171829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.171829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.171829 (E_RNA) where: Base-Base interactions energy: -2409.169 where: short stacking energy: -934.329 Base-Backbone interact. energy: 4.422 local terms energy: -885.425747 where: bonds (distance) C4'-P energy: -151.279 bonds (distance) P-C4' energy: -139.697 flat angles C4'-P-C4' energy: -193.959 flat angles P-C4'-P energy: -135.963 tors. eta vs tors. theta energy: -264.528 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: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -3228.142739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.142739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.142739 (E_RNA) where: Base-Base interactions energy: -2361.822 where: short stacking energy: -914.376 Base-Backbone interact. energy: -2.485 local terms energy: -863.836237 where: bonds (distance) C4'-P energy: -144.064 bonds (distance) P-C4' energy: -155.018 flat angles C4'-P-C4' energy: -182.399 flat angles P-C4'-P energy: -115.278 tors. eta vs tors. theta energy: -267.078 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: 301 Temperature: 1.250000 Total energy: -3128.734538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.734538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.734538 (E_RNA) where: Base-Base interactions energy: -2302.081 where: short stacking energy: -885.028 Base-Backbone interact. energy: 0.420 local terms energy: -827.073317 where: bonds (distance) C4'-P energy: -134.528 bonds (distance) P-C4' energy: -120.135 flat angles C4'-P-C4' energy: -191.663 flat angles P-C4'-P energy: -122.360 tors. eta vs tors. theta energy: -258.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -2831.204119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.204119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.204119 (E_RNA) where: Base-Base interactions energy: -2066.349 where: short stacking energy: -794.425 Base-Backbone interact. energy: 4.620 local terms energy: -769.475150 where: bonds (distance) C4'-P energy: -155.237 bonds (distance) P-C4' energy: -140.522 flat angles C4'-P-C4' energy: -155.285 flat angles P-C4'-P energy: -97.154 tors. eta vs tors. theta energy: -221.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -2626.387685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.387685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.387685 (E_RNA) where: Base-Base interactions energy: -1879.180 where: short stacking energy: -732.541 Base-Backbone interact. energy: 5.226 local terms energy: -752.433692 where: bonds (distance) C4'-P energy: -142.472 bonds (distance) P-C4' energy: -137.105 flat angles C4'-P-C4' energy: -165.595 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -210.854 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: 1 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3884.430945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3884.430945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3884.430945 (E_RNA) where: Base-Base interactions energy: -2815.703 where: short stacking energy: -1072.318 Base-Backbone interact. energy: 0.158 local terms energy: -1068.886373 where: bonds (distance) C4'-P energy: -187.165 bonds (distance) P-C4' energy: -191.480 flat angles C4'-P-C4' energy: -229.989 flat angles P-C4'-P energy: -151.168 tors. eta vs tors. theta energy: -309.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -3836.083323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3836.083323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3836.083323 (E_RNA) where: Base-Base interactions energy: -2838.162 where: short stacking energy: -1083.523 Base-Backbone interact. energy: -2.705 local terms energy: -995.216188 where: bonds (distance) C4'-P energy: -165.236 bonds (distance) P-C4' energy: -191.386 flat angles C4'-P-C4' energy: -210.172 flat angles P-C4'-P energy: -127.667 tors. eta vs tors. theta energy: -300.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -3634.233309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3634.233309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3634.233309 (E_RNA) where: Base-Base interactions energy: -2631.929 where: short stacking energy: -1031.449 Base-Backbone interact. energy: -1.745 local terms energy: -1000.558590 where: bonds (distance) C4'-P energy: -169.731 bonds (distance) P-C4' energy: -172.134 flat angles C4'-P-C4' energy: -216.871 flat angles P-C4'-P energy: -150.398 tors. eta vs tors. theta energy: -291.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -3557.035871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3557.035871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3557.035871 (E_RNA) where: Base-Base interactions energy: -2606.022 where: short stacking energy: -1029.959 Base-Backbone interact. energy: -1.888 local terms energy: -949.126634 where: bonds (distance) C4'-P energy: -152.691 bonds (distance) P-C4' energy: -169.266 flat angles C4'-P-C4' energy: -193.378 flat angles P-C4'-P energy: -143.685 tors. eta vs tors. theta energy: -290.106 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: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -3513.123813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3513.123813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3513.123813 (E_RNA) where: Base-Base interactions energy: -2569.690 where: short stacking energy: -1005.915 Base-Backbone interact. energy: 0.598 local terms energy: -944.031270 where: bonds (distance) C4'-P energy: -143.484 bonds (distance) P-C4' energy: -168.178 flat angles C4'-P-C4' energy: -216.174 flat angles P-C4'-P energy: -131.900 tors. eta vs tors. theta energy: -284.295 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: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -3302.455752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.455752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.455752 (E_RNA) where: Base-Base interactions energy: -2399.255 where: short stacking energy: -957.254 Base-Backbone interact. energy: 1.521 local terms energy: -904.721698 where: bonds (distance) C4'-P energy: -161.585 bonds (distance) P-C4' energy: -150.405 flat angles C4'-P-C4' energy: -192.641 flat angles P-C4'-P energy: -122.659 tors. eta vs tors. theta energy: -277.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -3224.562547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.562547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.562547 (E_RNA) where: Base-Base interactions energy: -2330.898 where: short stacking energy: -896.479 Base-Backbone interact. energy: -0.876 local terms energy: -892.788672 where: bonds (distance) C4'-P energy: -166.474 bonds (distance) P-C4' energy: -156.943 flat angles C4'-P-C4' energy: -188.401 flat angles P-C4'-P energy: -113.331 tors. eta vs tors. theta energy: -267.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -3214.586384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.586384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.586384 (E_RNA) where: Base-Base interactions energy: -2338.258 where: short stacking energy: -898.949 Base-Backbone interact. energy: -1.162 local terms energy: -875.166479 where: bonds (distance) C4'-P energy: -146.630 bonds (distance) P-C4' energy: -156.931 flat angles C4'-P-C4' energy: -186.890 flat angles P-C4'-P energy: -119.725 tors. eta vs tors. theta energy: -264.990 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: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -2821.854838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.854838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.854838 (E_RNA) where: Base-Base interactions energy: -2058.125 where: short stacking energy: -804.257 Base-Backbone interact. energy: 1.678 local terms energy: -765.407784 where: bonds (distance) C4'-P energy: -135.461 bonds (distance) P-C4' energy: -123.030 flat angles C4'-P-C4' energy: -164.613 flat angles P-C4'-P energy: -119.507 tors. eta vs tors. theta energy: -222.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -2653.346739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.346739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.346739 (E_RNA) where: Base-Base interactions energy: -1890.415 where: short stacking energy: -721.703 Base-Backbone interact. energy: -1.558 local terms energy: -761.373588 where: bonds (distance) C4'-P energy: -155.185 bonds (distance) P-C4' energy: -159.528 flat angles C4'-P-C4' energy: -144.420 flat angles P-C4'-P energy: -106.851 tors. eta vs tors. theta energy: -195.389 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: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3847.372294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3847.372294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3847.372294 (E_RNA) where: Base-Base interactions energy: -2783.038 where: short stacking energy: -1082.730 Base-Backbone interact. energy: -2.336 local terms energy: -1061.997866 where: bonds (distance) C4'-P energy: -175.803 bonds (distance) P-C4' energy: -177.438 flat angles C4'-P-C4' energy: -221.511 flat angles P-C4'-P energy: -163.433 tors. eta vs tors. theta energy: -323.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -3816.206603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3816.206603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3816.206603 (E_RNA) where: Base-Base interactions energy: -2803.124 where: short stacking energy: -1079.925 Base-Backbone interact. energy: -0.017 local terms energy: -1013.064771 where: bonds (distance) C4'-P energy: -186.872 bonds (distance) P-C4' energy: -174.310 flat angles C4'-P-C4' energy: -204.446 flat angles P-C4'-P energy: -147.050 tors. eta vs tors. theta energy: -300.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -3671.744795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3671.744795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3671.744795 (E_RNA) where: Base-Base interactions energy: -2678.559 where: short stacking energy: -1052.154 Base-Backbone interact. energy: -2.483 local terms energy: -990.702043 where: bonds (distance) C4'-P energy: -157.019 bonds (distance) P-C4' energy: -172.780 flat angles C4'-P-C4' energy: -217.133 flat angles P-C4'-P energy: -150.144 tors. eta vs tors. theta energy: -293.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -3558.263353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.263353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.263353 (E_RNA) where: Base-Base interactions energy: -2609.766 where: short stacking energy: -1012.864 Base-Backbone interact. energy: 0.017 local terms energy: -948.514244 where: bonds (distance) C4'-P energy: -139.498 bonds (distance) P-C4' energy: -160.204 flat angles C4'-P-C4' energy: -195.838 flat angles P-C4'-P energy: -159.436 tors. eta vs tors. theta energy: -293.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -3517.587898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3517.587898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3517.587898 (E_RNA) where: Base-Base interactions energy: -2587.944 where: short stacking energy: -971.986 Base-Backbone interact. energy: -0.947 local terms energy: -928.697086 where: bonds (distance) C4'-P energy: -156.041 bonds (distance) P-C4' energy: -157.687 flat angles C4'-P-C4' energy: -200.312 flat angles P-C4'-P energy: -140.266 tors. eta vs tors. theta energy: -274.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -3347.995733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.995733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.995733 (E_RNA) where: Base-Base interactions energy: -2442.312 where: short stacking energy: -950.056 Base-Backbone interact. energy: -1.910 local terms energy: -903.773983 where: bonds (distance) C4'-P energy: -152.025 bonds (distance) P-C4' energy: -141.819 flat angles C4'-P-C4' energy: -196.689 flat angles P-C4'-P energy: -137.452 tors. eta vs tors. theta energy: -275.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -3218.042291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.042291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.042291 (E_RNA) where: Base-Base interactions energy: -2325.398 where: short stacking energy: -904.303 Base-Backbone interact. energy: -1.468 local terms energy: -891.175842 where: bonds (distance) C4'-P energy: -150.633 bonds (distance) P-C4' energy: -173.188 flat angles C4'-P-C4' energy: -185.147 flat angles P-C4'-P energy: -117.489 tors. eta vs tors. theta energy: -264.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -3143.247434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.247434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.247434 (E_RNA) where: Base-Base interactions energy: -2272.485 where: short stacking energy: -897.711 Base-Backbone interact. energy: 2.025 local terms energy: -872.786696 where: bonds (distance) C4'-P energy: -142.560 bonds (distance) P-C4' energy: -136.003 flat angles C4'-P-C4' energy: -196.973 flat angles P-C4'-P energy: -137.246 tors. eta vs tors. theta energy: -260.005 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: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -2830.836545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.836545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.836545 (E_RNA) where: Base-Base interactions energy: -2021.285 where: short stacking energy: -797.278 Base-Backbone interact. energy: -3.221 local terms energy: -806.330853 where: bonds (distance) C4'-P energy: -134.718 bonds (distance) P-C4' energy: -156.821 flat angles C4'-P-C4' energy: -169.014 flat angles P-C4'-P energy: -112.782 tors. eta vs tors. theta energy: -232.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -2716.024187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.024187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.024187 (E_RNA) where: Base-Base interactions energy: -1951.466 where: short stacking energy: -765.195 Base-Backbone interact. energy: 12.048 local terms energy: -776.605962 where: bonds (distance) C4'-P energy: -151.548 bonds (distance) P-C4' energy: -142.958 flat angles C4'-P-C4' energy: -173.349 flat angles P-C4'-P energy: -112.052 tors. eta vs tors. theta energy: -196.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3859.123338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3859.123338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3859.123338 (E_RNA) where: Base-Base interactions energy: -2799.989 where: short stacking energy: -1078.536 Base-Backbone interact. energy: -2.978 local terms energy: -1056.156166 where: bonds (distance) C4'-P energy: -175.329 bonds (distance) P-C4' energy: -183.158 flat angles C4'-P-C4' energy: -218.881 flat angles P-C4'-P energy: -165.213 tors. eta vs tors. theta energy: -313.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -3777.065880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.065880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.065880 (E_RNA) where: Base-Base interactions energy: -2757.328 where: short stacking energy: -1055.075 Base-Backbone interact. energy: -2.358 local terms energy: -1017.380497 where: bonds (distance) C4'-P energy: -172.001 bonds (distance) P-C4' energy: -178.437 flat angles C4'-P-C4' energy: -214.724 flat angles P-C4'-P energy: -151.158 tors. eta vs tors. theta energy: -301.061 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: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -3682.732597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3682.732597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3682.732597 (E_RNA) where: Base-Base interactions energy: -2666.122 where: short stacking energy: -1047.744 Base-Backbone interact. energy: -2.430 local terms energy: -1014.180339 where: bonds (distance) C4'-P energy: -180.777 bonds (distance) P-C4' energy: -178.253 flat angles C4'-P-C4' energy: -212.007 flat angles P-C4'-P energy: -144.275 tors. eta vs tors. theta energy: -298.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -3608.880420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3608.880420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3608.880420 (E_RNA) where: Base-Base interactions energy: -2626.494 where: short stacking energy: -1031.729 Base-Backbone interact. energy: -0.835 local terms energy: -981.551618 where: bonds (distance) C4'-P energy: -185.856 bonds (distance) P-C4' energy: -173.133 flat angles C4'-P-C4' energy: -206.228 flat angles P-C4'-P energy: -122.224 tors. eta vs tors. theta energy: -294.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -3525.001431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.001431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.001431 (E_RNA) where: Base-Base interactions energy: -2597.943 where: short stacking energy: -993.457 Base-Backbone interact. energy: -1.842 local terms energy: -925.216743 where: bonds (distance) C4'-P energy: -138.582 bonds (distance) P-C4' energy: -160.363 flat angles C4'-P-C4' energy: -211.310 flat angles P-C4'-P energy: -138.188 tors. eta vs tors. theta energy: -276.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -3351.348928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.348928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.348928 (E_RNA) where: Base-Base interactions energy: -2439.133 where: short stacking energy: -947.881 Base-Backbone interact. energy: -2.645 local terms energy: -909.571182 where: bonds (distance) C4'-P energy: -157.018 bonds (distance) P-C4' energy: -141.821 flat angles C4'-P-C4' energy: -202.349 flat angles P-C4'-P energy: -126.983 tors. eta vs tors. theta energy: -281.401 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: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -3288.307266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.307266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.307266 (E_RNA) where: Base-Base interactions energy: -2373.657 where: short stacking energy: -913.333 Base-Backbone interact. energy: -2.359 local terms energy: -912.290692 where: bonds (distance) C4'-P energy: -169.418 bonds (distance) P-C4' energy: -151.149 flat angles C4'-P-C4' energy: -205.990 flat angles P-C4'-P energy: -124.614 tors. eta vs tors. theta energy: -261.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -3131.437900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.437900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.437900 (E_RNA) where: Base-Base interactions energy: -2301.023 where: short stacking energy: -869.720 Base-Backbone interact. energy: 0.606 local terms energy: -831.020306 where: bonds (distance) C4'-P energy: -134.778 bonds (distance) P-C4' energy: -136.470 flat angles C4'-P-C4' energy: -179.031 flat angles P-C4'-P energy: -124.785 tors. eta vs tors. theta energy: -255.957 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: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -2785.185230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.185230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.185230 (E_RNA) where: Base-Base interactions energy: -2026.063 where: short stacking energy: -797.428 Base-Backbone interact. energy: -0.762 local terms energy: -758.360234 where: bonds (distance) C4'-P energy: -137.692 bonds (distance) P-C4' energy: -106.961 flat angles C4'-P-C4' energy: -173.420 flat angles P-C4'-P energy: -118.942 tors. eta vs tors. theta energy: -221.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -2829.718888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.718888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.718888 (E_RNA) where: Base-Base interactions energy: -2072.213 where: short stacking energy: -823.049 Base-Backbone interact. energy: -0.377 local terms energy: -757.128480 where: bonds (distance) C4'-P energy: -122.912 bonds (distance) P-C4' energy: -153.822 flat angles C4'-P-C4' energy: -158.344 flat angles P-C4'-P energy: -97.738 tors. eta vs tors. theta energy: -224.313 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: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3888.741404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3888.741404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3888.741404 (E_RNA) where: Base-Base interactions energy: -2833.551 where: short stacking energy: -1091.661 Base-Backbone interact. energy: -2.050 local terms energy: -1053.140662 where: bonds (distance) C4'-P energy: -192.078 bonds (distance) P-C4' energy: -177.908 flat angles C4'-P-C4' energy: -222.457 flat angles P-C4'-P energy: -145.322 tors. eta vs tors. theta energy: -315.376 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: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -3802.083907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3802.083907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3802.083907 (E_RNA) where: Base-Base interactions energy: -2791.257 where: short stacking energy: -1081.599 Base-Backbone interact. energy: -3.426 local terms energy: -1007.401372 where: bonds (distance) C4'-P energy: -173.414 bonds (distance) P-C4' energy: -176.341 flat angles C4'-P-C4' energy: -214.189 flat angles P-C4'-P energy: -142.055 tors. eta vs tors. theta energy: -301.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -3651.359864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3651.359864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3651.359864 (E_RNA) where: Base-Base interactions energy: -2682.625 where: short stacking energy: -1041.572 Base-Backbone interact. energy: -3.368 local terms energy: -965.367063 where: bonds (distance) C4'-P energy: -167.787 bonds (distance) P-C4' energy: -155.655 flat angles C4'-P-C4' energy: -200.587 flat angles P-C4'-P energy: -137.204 tors. eta vs tors. theta energy: -304.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -3607.075473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.075473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.075473 (E_RNA) where: Base-Base interactions energy: -2605.228 where: short stacking energy: -1009.246 Base-Backbone interact. energy: -0.916 local terms energy: -1000.931423 where: bonds (distance) C4'-P energy: -179.705 bonds (distance) P-C4' energy: -176.540 flat angles C4'-P-C4' energy: -215.155 flat angles P-C4'-P energy: -139.491 tors. eta vs tors. theta energy: -290.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -3494.159901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3494.159901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3494.159901 (E_RNA) where: Base-Base interactions energy: -2549.576 where: short stacking energy: -964.858 Base-Backbone interact. energy: -2.196 local terms energy: -942.388528 where: bonds (distance) C4'-P energy: -179.841 bonds (distance) P-C4' energy: -148.359 flat angles C4'-P-C4' energy: -203.084 flat angles P-C4'-P energy: -131.992 tors. eta vs tors. theta energy: -279.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -3302.304896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.304896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.304896 (E_RNA) where: Base-Base interactions energy: -2393.696 where: short stacking energy: -929.200 Base-Backbone interact. energy: 6.243 local terms energy: -914.851517 where: bonds (distance) C4'-P energy: -174.502 bonds (distance) P-C4' energy: -154.095 flat angles C4'-P-C4' energy: -200.372 flat angles P-C4'-P energy: -127.782 tors. eta vs tors. theta energy: -258.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -3325.174273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3325.174273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3325.174273 (E_RNA) where: Base-Base interactions energy: -2430.849 where: short stacking energy: -918.694 Base-Backbone interact. energy: -0.478 local terms energy: -893.847341 where: bonds (distance) C4'-P energy: -168.580 bonds (distance) P-C4' energy: -141.473 flat angles C4'-P-C4' energy: -195.036 flat angles P-C4'-P energy: -119.269 tors. eta vs tors. theta energy: -269.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -3159.761074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.761074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.761074 (E_RNA) where: Base-Base interactions energy: -2283.758 where: short stacking energy: -877.231 Base-Backbone interact. energy: -1.804 local terms energy: -874.198777 where: bonds (distance) C4'-P energy: -154.407 bonds (distance) P-C4' energy: -147.938 flat angles C4'-P-C4' energy: -192.166 flat angles P-C4'-P energy: -128.160 tors. eta vs tors. theta energy: -251.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -2756.535578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.535578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.535578 (E_RNA) where: Base-Base interactions energy: -1965.856 where: short stacking energy: -756.585 Base-Backbone interact. energy: -1.736 local terms energy: -788.943134 where: bonds (distance) C4'-P energy: -140.064 bonds (distance) P-C4' energy: -165.645 flat angles C4'-P-C4' energy: -163.587 flat angles P-C4'-P energy: -107.848 tors. eta vs tors. theta energy: -211.799 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: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -2815.765108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.765108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.765108 (E_RNA) where: Base-Base interactions energy: -2031.860 where: short stacking energy: -808.255 Base-Backbone interact. energy: 8.197 local terms energy: -792.102679 where: bonds (distance) C4'-P energy: -125.090 bonds (distance) P-C4' energy: -139.168 flat angles C4'-P-C4' energy: -182.850 flat angles P-C4'-P energy: -109.369 tors. eta vs tors. theta energy: -235.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3880.379932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3880.379932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3880.379932 (E_RNA) where: Base-Base interactions energy: -2817.544 where: short stacking energy: -1097.697 Base-Backbone interact. energy: 5.255 local terms energy: -1068.090492 where: bonds (distance) C4'-P energy: -189.746 bonds (distance) P-C4' energy: -192.254 flat angles C4'-P-C4' energy: -223.573 flat angles P-C4'-P energy: -142.221 tors. eta vs tors. theta energy: -320.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -3777.729510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.729510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.729510 (E_RNA) where: Base-Base interactions energy: -2746.763 where: short stacking energy: -1060.501 Base-Backbone interact. energy: -0.197 local terms energy: -1030.769041 where: bonds (distance) C4'-P energy: -174.773 bonds (distance) P-C4' energy: -170.444 flat angles C4'-P-C4' energy: -217.243 flat angles P-C4'-P energy: -159.920 tors. eta vs tors. theta energy: -308.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -3658.968088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3658.968088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3658.968088 (E_RNA) where: Base-Base interactions energy: -2678.827 where: short stacking energy: -1058.080 Base-Backbone interact. energy: -1.217 local terms energy: -978.923870 where: bonds (distance) C4'-P energy: -151.103 bonds (distance) P-C4' energy: -178.903 flat angles C4'-P-C4' energy: -202.855 flat angles P-C4'-P energy: -154.572 tors. eta vs tors. theta energy: -291.490 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: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -3566.456564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.456564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.456564 (E_RNA) where: Base-Base interactions energy: -2628.960 where: short stacking energy: -1006.728 Base-Backbone interact. energy: -1.963 local terms energy: -935.533165 where: bonds (distance) C4'-P energy: -167.837 bonds (distance) P-C4' energy: -144.351 flat angles C4'-P-C4' energy: -202.374 flat angles P-C4'-P energy: -127.278 tors. eta vs tors. theta energy: -293.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -3481.505261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.505261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.505261 (E_RNA) where: Base-Base interactions energy: -2535.657 where: short stacking energy: -960.779 Base-Backbone interact. energy: 5.189 local terms energy: -951.037492 where: bonds (distance) C4'-P energy: -176.094 bonds (distance) P-C4' energy: -168.012 flat angles C4'-P-C4' energy: -191.653 flat angles P-C4'-P energy: -137.549 tors. eta vs tors. theta energy: -277.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -3303.205635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.205635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.205635 (E_RNA) where: Base-Base interactions energy: -2407.690 where: short stacking energy: -948.354 Base-Backbone interact. energy: 5.622 local terms energy: -901.137429 where: bonds (distance) C4'-P energy: -160.608 bonds (distance) P-C4' energy: -139.863 flat angles C4'-P-C4' energy: -204.711 flat angles P-C4'-P energy: -118.170 tors. eta vs tors. theta energy: -277.787 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: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -3287.227775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3287.227775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3287.227775 (E_RNA) where: Base-Base interactions energy: -2392.800 where: short stacking energy: -925.343 Base-Backbone interact. energy: 1.393 local terms energy: -895.820780 where: bonds (distance) C4'-P energy: -149.178 bonds (distance) P-C4' energy: -157.176 flat angles C4'-P-C4' energy: -196.164 flat angles P-C4'-P energy: -131.944 tors. eta vs tors. theta energy: -261.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -3160.847449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.847449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.847449 (E_RNA) where: Base-Base interactions energy: -2324.989 where: short stacking energy: -890.235 Base-Backbone interact. energy: -0.679 local terms energy: -835.179608 where: bonds (distance) C4'-P energy: -132.126 bonds (distance) P-C4' energy: -149.385 flat angles C4'-P-C4' energy: -182.128 flat angles P-C4'-P energy: -117.989 tors. eta vs tors. theta energy: -253.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -2804.610132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.610132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.610132 (E_RNA) where: Base-Base interactions energy: -1992.985 where: short stacking energy: -783.836 Base-Backbone interact. energy: 2.072 local terms energy: -813.696917 where: bonds (distance) C4'-P energy: -131.287 bonds (distance) P-C4' energy: -159.845 flat angles C4'-P-C4' energy: -181.394 flat angles P-C4'-P energy: -129.754 tors. eta vs tors. theta energy: -211.417 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: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -2748.528320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.528320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.528320 (E_RNA) where: Base-Base interactions energy: -1991.791 where: short stacking energy: -800.289 Base-Backbone interact. energy: 0.238 local terms energy: -756.975461 where: bonds (distance) C4'-P energy: -133.416 bonds (distance) P-C4' energy: -138.487 flat angles C4'-P-C4' energy: -177.411 flat angles P-C4'-P energy: -88.069 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: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3889.131598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3889.131598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3889.131598 (E_RNA) where: Base-Base interactions energy: -2828.964 where: short stacking energy: -1087.700 Base-Backbone interact. energy: -0.228 local terms energy: -1059.939228 where: bonds (distance) C4'-P energy: -184.229 bonds (distance) P-C4' energy: -171.528 flat angles C4'-P-C4' energy: -219.920 flat angles P-C4'-P energy: -165.670 tors. eta vs tors. theta energy: -318.593 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: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -3786.897963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3786.897963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3786.897963 (E_RNA) where: Base-Base interactions energy: -2762.072 where: short stacking energy: -1059.597 Base-Backbone interact. energy: 2.730 local terms energy: -1027.555876 where: bonds (distance) C4'-P energy: -161.450 bonds (distance) P-C4' energy: -187.451 flat angles C4'-P-C4' energy: -214.936 flat angles P-C4'-P energy: -162.374 tors. eta vs tors. theta energy: -301.344 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: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -3664.899935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3664.899935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3664.899935 (E_RNA) where: Base-Base interactions energy: -2618.540 where: short stacking energy: -1020.290 Base-Backbone interact. energy: -8.993 local terms energy: -1037.367559 where: bonds (distance) C4'-P energy: -179.008 bonds (distance) P-C4' energy: -194.984 flat angles C4'-P-C4' energy: -203.159 flat angles P-C4'-P energy: -154.889 tors. eta vs tors. theta energy: -305.328 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: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -3556.181252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3556.181252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3556.181252 (E_RNA) where: Base-Base interactions energy: -2564.429 where: short stacking energy: -1003.613 Base-Backbone interact. energy: -1.511 local terms energy: -990.240745 where: bonds (distance) C4'-P energy: -172.231 bonds (distance) P-C4' energy: -181.786 flat angles C4'-P-C4' energy: -196.616 flat angles P-C4'-P energy: -144.653 tors. eta vs tors. theta energy: -294.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -3525.401711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.401711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.401711 (E_RNA) where: Base-Base interactions energy: -2604.710 where: short stacking energy: -1001.914 Base-Backbone interact. energy: -1.965 local terms energy: -918.726367 where: bonds (distance) C4'-P energy: -169.660 bonds (distance) P-C4' energy: -131.973 flat angles C4'-P-C4' energy: -207.828 flat angles P-C4'-P energy: -130.241 tors. eta vs tors. theta energy: -279.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -3351.950017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.950017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.950017 (E_RNA) where: Base-Base interactions energy: -2459.778 where: short stacking energy: -957.926 Base-Backbone interact. energy: -0.437 local terms energy: -891.734975 where: bonds (distance) C4'-P energy: -165.193 bonds (distance) P-C4' energy: -132.069 flat angles C4'-P-C4' energy: -190.041 flat angles P-C4'-P energy: -132.161 tors. eta vs tors. theta energy: -272.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -3304.412684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.412684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.412684 (E_RNA) where: Base-Base interactions energy: -2420.946 where: short stacking energy: -924.561 Base-Backbone interact. energy: -1.939 local terms energy: -881.528019 where: bonds (distance) C4'-P energy: -149.605 bonds (distance) P-C4' energy: -154.217 flat angles C4'-P-C4' energy: -193.351 flat angles P-C4'-P energy: -125.996 tors. eta vs tors. theta energy: -258.360 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: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -3179.297094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.297094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.297094 (E_RNA) where: Base-Base interactions energy: -2315.858 where: short stacking energy: -907.561 Base-Backbone interact. energy: 6.322 local terms energy: -869.761704 where: bonds (distance) C4'-P energy: -167.399 bonds (distance) P-C4' energy: -147.302 flat angles C4'-P-C4' energy: -168.719 flat angles P-C4'-P energy: -122.662 tors. eta vs tors. theta energy: -263.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -2814.358675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.358675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.358675 (E_RNA) where: Base-Base interactions energy: -2048.026 where: short stacking energy: -800.493 Base-Backbone interact. energy: 2.310 local terms energy: -768.643066 where: bonds (distance) C4'-P energy: -151.224 bonds (distance) P-C4' energy: -130.594 flat angles C4'-P-C4' energy: -164.280 flat angles P-C4'-P energy: -106.907 tors. eta vs tors. theta energy: -215.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -2795.754349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.754349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.754349 (E_RNA) where: Base-Base interactions energy: -2054.469 where: short stacking energy: -826.865 Base-Backbone interact. energy: 1.016 local terms energy: -742.301041 where: bonds (distance) C4'-P energy: -117.422 bonds (distance) P-C4' energy: -140.191 flat angles C4'-P-C4' energy: -168.118 flat angles P-C4'-P energy: -91.221 tors. eta vs tors. theta energy: -225.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3845.613712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3845.613712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3845.613712 (E_RNA) where: Base-Base interactions energy: -2795.763 where: short stacking energy: -1072.738 Base-Backbone interact. energy: -2.324 local terms energy: -1047.526749 where: bonds (distance) C4'-P energy: -189.821 bonds (distance) P-C4' energy: -181.847 flat angles C4'-P-C4' energy: -206.918 flat angles P-C4'-P energy: -155.250 tors. eta vs tors. theta energy: -313.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -3787.112206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3787.112206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3787.112206 (E_RNA) where: Base-Base interactions energy: -2751.565 where: short stacking energy: -1064.274 Base-Backbone interact. energy: -1.970 local terms energy: -1033.577179 where: bonds (distance) C4'-P energy: -182.210 bonds (distance) P-C4' energy: -177.986 flat angles C4'-P-C4' energy: -215.602 flat angles P-C4'-P energy: -151.439 tors. eta vs tors. theta energy: -306.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -3684.505208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3684.505208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3684.505208 (E_RNA) where: Base-Base interactions energy: -2681.904 where: short stacking energy: -1030.598 Base-Backbone interact. energy: 1.104 local terms energy: -1003.706005 where: bonds (distance) C4'-P energy: -172.635 bonds (distance) P-C4' energy: -183.922 flat angles C4'-P-C4' energy: -205.832 flat angles P-C4'-P energy: -140.438 tors. eta vs tors. theta energy: -300.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -3598.292084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.292084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.292084 (E_RNA) where: Base-Base interactions energy: -2620.905 where: short stacking energy: -992.860 Base-Backbone interact. energy: -2.338 local terms energy: -975.048811 where: bonds (distance) C4'-P energy: -172.923 bonds (distance) P-C4' energy: -184.633 flat angles C4'-P-C4' energy: -215.400 flat angles P-C4'-P energy: -118.825 tors. eta vs tors. theta energy: -283.268 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: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -3463.928906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3463.928906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3463.928906 (E_RNA) where: Base-Base interactions energy: -2569.686 where: short stacking energy: -987.228 Base-Backbone interact. energy: -0.730 local terms energy: -893.512881 where: bonds (distance) C4'-P energy: -144.034 bonds (distance) P-C4' energy: -166.616 flat angles C4'-P-C4' energy: -184.685 flat angles P-C4'-P energy: -128.217 tors. eta vs tors. theta energy: -269.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -3374.931091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3374.931091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3374.931091 (E_RNA) where: Base-Base interactions energy: -2461.072 where: short stacking energy: -939.398 Base-Backbone interact. energy: -2.749 local terms energy: -911.110155 where: bonds (distance) C4'-P energy: -168.681 bonds (distance) P-C4' energy: -147.903 flat angles C4'-P-C4' energy: -197.389 flat angles P-C4'-P energy: -120.884 tors. eta vs tors. theta energy: -276.254 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: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -3304.191411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.191411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.191411 (E_RNA) where: Base-Base interactions energy: -2411.189 where: short stacking energy: -922.293 Base-Backbone interact. energy: 1.009 local terms energy: -894.011446 where: bonds (distance) C4'-P energy: -150.001 bonds (distance) P-C4' energy: -158.253 flat angles C4'-P-C4' energy: -193.449 flat angles P-C4'-P energy: -127.484 tors. eta vs tors. theta energy: -264.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -3115.584951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.584951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.584951 (E_RNA) where: Base-Base interactions energy: -2251.100 where: short stacking energy: -899.243 Base-Backbone interact. energy: -1.415 local terms energy: -863.069526 where: bonds (distance) C4'-P energy: -147.425 bonds (distance) P-C4' energy: -153.791 flat angles C4'-P-C4' energy: -184.933 flat angles P-C4'-P energy: -126.753 tors. eta vs tors. theta energy: -250.167 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: 308 Temperature: 1.300000 Total energy: -2813.523203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.523203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.523203 (E_RNA) where: Base-Base interactions energy: -2016.700 where: short stacking energy: -783.383 Base-Backbone interact. energy: 2.323 local terms energy: -799.146171 where: bonds (distance) C4'-P energy: -157.535 bonds (distance) P-C4' energy: -146.939 flat angles C4'-P-C4' energy: -161.783 flat angles P-C4'-P energy: -112.061 tors. eta vs tors. theta energy: -220.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -2769.316792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.316792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.316792 (E_RNA) where: Base-Base interactions energy: -2010.489 where: short stacking energy: -810.516 Base-Backbone interact. energy: 1.026 local terms energy: -759.852948 where: bonds (distance) C4'-P energy: -138.025 bonds (distance) P-C4' energy: -116.267 flat angles C4'-P-C4' energy: -162.400 flat angles P-C4'-P energy: -113.250 tors. eta vs tors. theta energy: -229.910 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: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3865.163729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3865.163729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3865.163729 (E_RNA) where: Base-Base interactions energy: -2813.968 where: short stacking energy: -1071.152 Base-Backbone interact. energy: -2.020 local terms energy: -1049.175813 where: bonds (distance) C4'-P energy: -167.692 bonds (distance) P-C4' energy: -190.085 flat angles C4'-P-C4' energy: -217.608 flat angles P-C4'-P energy: -155.706 tors. eta vs tors. theta energy: -318.085 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: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -3739.847908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3739.847908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3739.847908 (E_RNA) where: Base-Base interactions energy: -2718.284 where: short stacking energy: -1048.456 Base-Backbone interact. energy: 0.951 local terms energy: -1022.514931 where: bonds (distance) C4'-P energy: -188.119 bonds (distance) P-C4' energy: -174.748 flat angles C4'-P-C4' energy: -211.947 flat angles P-C4'-P energy: -137.339 tors. eta vs tors. theta energy: -310.362 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: 309 Temperature: 1.000000 Total energy: -3731.387147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3731.387147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3731.387147 (E_RNA) where: Base-Base interactions energy: -2714.102 where: short stacking energy: -1048.726 Base-Backbone interact. energy: -4.610 local terms energy: -1012.674830 where: bonds (distance) C4'-P energy: -170.106 bonds (distance) P-C4' energy: -187.403 flat angles C4'-P-C4' energy: -204.844 flat angles P-C4'-P energy: -145.610 tors. eta vs tors. theta energy: -304.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -3570.411935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.411935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.411935 (E_RNA) where: Base-Base interactions energy: -2616.475 where: short stacking energy: -1021.976 Base-Backbone interact. energy: 6.396 local terms energy: -960.332651 where: bonds (distance) C4'-P energy: -176.689 bonds (distance) P-C4' energy: -144.483 flat angles C4'-P-C4' energy: -207.001 flat angles P-C4'-P energy: -140.103 tors. eta vs tors. theta energy: -292.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -3513.747103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3513.747103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3513.747103 (E_RNA) where: Base-Base interactions energy: -2569.199 where: short stacking energy: -991.544 Base-Backbone interact. energy: 5.952 local terms energy: -950.500843 where: bonds (distance) C4'-P energy: -179.679 bonds (distance) P-C4' energy: -143.071 flat angles C4'-P-C4' energy: -199.332 flat angles P-C4'-P energy: -146.560 tors. eta vs tors. theta energy: -281.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -3398.204330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3398.204330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3398.204330 (E_RNA) where: Base-Base interactions energy: -2449.185 where: short stacking energy: -948.779 Base-Backbone interact. energy: 0.739 local terms energy: -949.758624 where: bonds (distance) C4'-P energy: -167.766 bonds (distance) P-C4' energy: -167.225 flat angles C4'-P-C4' energy: -195.417 flat angles P-C4'-P energy: -135.220 tors. eta vs tors. theta energy: -284.130 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: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -3292.682213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.682213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.682213 (E_RNA) where: Base-Base interactions energy: -2400.901 where: short stacking energy: -901.133 Base-Backbone interact. energy: -1.737 local terms energy: -890.043607 where: bonds (distance) C4'-P energy: -150.233 bonds (distance) P-C4' energy: -125.637 flat angles C4'-P-C4' energy: -197.622 flat angles P-C4'-P energy: -139.999 tors. eta vs tors. theta energy: -276.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -3140.834324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.834324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.834324 (E_RNA) where: Base-Base interactions energy: -2286.301 where: short stacking energy: -898.144 Base-Backbone interact. energy: 0.611 local terms energy: -855.143968 where: bonds (distance) C4'-P energy: -158.844 bonds (distance) P-C4' energy: -136.667 flat angles C4'-P-C4' energy: -181.106 flat angles P-C4'-P energy: -128.781 tors. eta vs tors. theta energy: -249.746 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: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -2815.976400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.976400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.976400 (E_RNA) where: Base-Base interactions energy: -2027.685 where: short stacking energy: -786.680 Base-Backbone interact. energy: 0.167 local terms energy: -788.458996 where: bonds (distance) C4'-P energy: -148.665 bonds (distance) P-C4' energy: -143.528 flat angles C4'-P-C4' energy: -175.369 flat angles P-C4'-P energy: -111.001 tors. eta vs tors. theta energy: -209.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -2787.100482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.100482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.100482 (E_RNA) where: Base-Base interactions energy: -2011.067 where: short stacking energy: -782.450 Base-Backbone interact. energy: 3.070 local terms energy: -779.103610 where: bonds (distance) C4'-P energy: -129.034 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -194.881 flat angles P-C4'-P energy: -103.976 tors. eta vs tors. theta energy: -211.135 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: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3879.132140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3879.132140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3879.132140 (E_RNA) where: Base-Base interactions energy: -2841.651 where: short stacking energy: -1094.560 Base-Backbone interact. energy: -0.858 local terms energy: -1036.622385 where: bonds (distance) C4'-P energy: -167.420 bonds (distance) P-C4' energy: -190.776 flat angles C4'-P-C4' energy: -209.862 flat angles P-C4'-P energy: -146.613 tors. eta vs tors. theta energy: -321.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -3762.808121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3762.808121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3762.808121 (E_RNA) where: Base-Base interactions energy: -2721.528 where: short stacking energy: -1050.552 Base-Backbone interact. energy: 3.458 local terms energy: -1044.737909 where: bonds (distance) C4'-P energy: -192.811 bonds (distance) P-C4' energy: -181.204 flat angles C4'-P-C4' energy: -217.554 flat angles P-C4'-P energy: -144.610 tors. eta vs tors. theta energy: -308.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -3689.399602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3689.399602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3689.399602 (E_RNA) where: Base-Base interactions energy: -2679.575 where: short stacking energy: -1034.585 Base-Backbone interact. energy: -2.005 local terms energy: -1007.819534 where: bonds (distance) C4'-P energy: -183.027 bonds (distance) P-C4' energy: -179.052 flat angles C4'-P-C4' energy: -209.953 flat angles P-C4'-P energy: -136.140 tors. eta vs tors. theta energy: -299.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -3582.278915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.278915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.278915 (E_RNA) where: Base-Base interactions energy: -2606.975 where: short stacking energy: -998.411 Base-Backbone interact. energy: -0.268 local terms energy: -975.035306 where: bonds (distance) C4'-P energy: -167.238 bonds (distance) P-C4' energy: -165.155 flat angles C4'-P-C4' energy: -201.741 flat angles P-C4'-P energy: -147.077 tors. eta vs tors. theta energy: -293.824 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: 10 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -3509.272518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3509.272518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3509.272518 (E_RNA) where: Base-Base interactions energy: -2556.287 where: short stacking energy: -975.859 Base-Backbone interact. energy: 0.532 local terms energy: -953.517860 where: bonds (distance) C4'-P energy: -156.338 bonds (distance) P-C4' energy: -166.992 flat angles C4'-P-C4' energy: -214.491 flat angles P-C4'-P energy: -136.008 tors. eta vs tors. theta energy: -279.690 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: 310 Temperature: 1.150000 Total energy: -3407.290459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3407.290459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3407.290459 (E_RNA) where: Base-Base interactions energy: -2455.631 where: short stacking energy: -958.654 Base-Backbone interact. energy: 2.944 local terms energy: -954.603159 where: bonds (distance) C4'-P energy: -156.173 bonds (distance) P-C4' energy: -175.990 flat angles C4'-P-C4' energy: -197.671 flat angles P-C4'-P energy: -129.960 tors. eta vs tors. theta energy: -294.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -3332.430054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.430054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.430054 (E_RNA) where: Base-Base interactions energy: -2408.481 where: short stacking energy: -934.173 Base-Backbone interact. energy: 1.663 local terms energy: -925.611642 where: bonds (distance) C4'-P energy: -156.616 bonds (distance) P-C4' energy: -157.558 flat angles C4'-P-C4' energy: -200.255 flat angles P-C4'-P energy: -138.285 tors. eta vs tors. theta energy: -272.898 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: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -3152.382960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.382960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.382960 (E_RNA) where: Base-Base interactions energy: -2266.443 where: short stacking energy: -872.277 Base-Backbone interact. energy: 1.068 local terms energy: -887.007884 where: bonds (distance) C4'-P energy: -145.879 bonds (distance) P-C4' energy: -150.649 flat angles C4'-P-C4' energy: -192.092 flat angles P-C4'-P energy: -144.714 tors. eta vs tors. theta energy: -253.673 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: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -2833.019871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.019871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.019871 (E_RNA) where: Base-Base interactions energy: -2042.506 where: short stacking energy: -809.600 Base-Backbone interact. energy: -2.360 local terms energy: -788.154464 where: bonds (distance) C4'-P energy: -145.860 bonds (distance) P-C4' energy: -171.798 flat angles C4'-P-C4' energy: -141.650 flat angles P-C4'-P energy: -113.661 tors. eta vs tors. theta energy: -215.186 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: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -2719.582330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.582330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.582330 (E_RNA) where: Base-Base interactions energy: -1961.851 where: short stacking energy: -752.329 Base-Backbone interact. energy: 2.929 local terms energy: -760.660127 where: bonds (distance) C4'-P energy: -150.364 bonds (distance) P-C4' energy: -146.284 flat angles C4'-P-C4' energy: -151.229 flat angles P-C4'-P energy: -98.937 tors. eta vs tors. theta energy: -213.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3862.123515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3862.123515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3862.123515 (E_RNA) where: Base-Base interactions energy: -2810.392 where: short stacking energy: -1097.457 Base-Backbone interact. energy: -2.017 local terms energy: -1049.714599 where: bonds (distance) C4'-P energy: -180.865 bonds (distance) P-C4' energy: -174.131 flat angles C4'-P-C4' energy: -221.824 flat angles P-C4'-P energy: -151.900 tors. eta vs tors. theta energy: -320.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -3783.496237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3783.496237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3783.496237 (E_RNA) where: Base-Base interactions energy: -2764.358 where: short stacking energy: -1057.935 Base-Backbone interact. energy: -2.436 local terms energy: -1016.701473 where: bonds (distance) C4'-P energy: -174.581 bonds (distance) P-C4' energy: -170.632 flat angles C4'-P-C4' energy: -224.143 flat angles P-C4'-P energy: -143.420 tors. eta vs tors. theta energy: -303.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -3669.693312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3669.693312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3669.693312 (E_RNA) where: Base-Base interactions energy: -2650.288 where: short stacking energy: -1028.756 Base-Backbone interact. energy: -1.166 local terms energy: -1018.239026 where: bonds (distance) C4'-P energy: -178.943 bonds (distance) P-C4' energy: -178.181 flat angles C4'-P-C4' energy: -215.987 flat angles P-C4'-P energy: -146.039 tors. eta vs tors. theta energy: -299.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -3583.303702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3583.303702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3583.303702 (E_RNA) where: Base-Base interactions energy: -2609.608 where: short stacking energy: -1005.585 Base-Backbone interact. energy: -1.853 local terms energy: -971.843247 where: bonds (distance) C4'-P energy: -161.708 bonds (distance) P-C4' energy: -162.083 flat angles C4'-P-C4' energy: -209.335 flat angles P-C4'-P energy: -149.856 tors. eta vs tors. theta energy: -288.862 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: 10 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -3531.615709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3531.615709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3531.615709 (E_RNA) where: Base-Base interactions energy: -2592.226 where: short stacking energy: -969.745 Base-Backbone interact. energy: 1.489 local terms energy: -940.878742 where: bonds (distance) C4'-P energy: -156.016 bonds (distance) P-C4' energy: -157.697 flat angles C4'-P-C4' energy: -202.132 flat angles P-C4'-P energy: -146.904 tors. eta vs tors. theta energy: -278.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -3363.826627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3363.826627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3363.826627 (E_RNA) where: Base-Base interactions energy: -2436.770 where: short stacking energy: -949.707 Base-Backbone interact. energy: -0.322 local terms energy: -926.735219 where: bonds (distance) C4'-P energy: -153.828 bonds (distance) P-C4' energy: -165.518 flat angles C4'-P-C4' energy: -202.330 flat angles P-C4'-P energy: -126.380 tors. eta vs tors. theta energy: -278.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -3371.315223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3371.315223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3371.315223 (E_RNA) where: Base-Base interactions energy: -2481.715 where: short stacking energy: -940.869 Base-Backbone interact. energy: 0.464 local terms energy: -890.064188 where: bonds (distance) C4'-P energy: -141.890 bonds (distance) P-C4' energy: -162.678 flat angles C4'-P-C4' energy: -195.607 flat angles P-C4'-P energy: -121.360 tors. eta vs tors. theta energy: -268.530 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: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -3122.104440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.104440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.104440 (E_RNA) where: Base-Base interactions energy: -2253.292 where: short stacking energy: -865.397 Base-Backbone interact. energy: 4.387 local terms energy: -873.198924 where: bonds (distance) C4'-P energy: -136.026 bonds (distance) P-C4' energy: -173.312 flat angles C4'-P-C4' energy: -179.276 flat angles P-C4'-P energy: -131.681 tors. eta vs tors. theta energy: -252.904 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: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -2812.407512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.407512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.407512 (E_RNA) where: Base-Base interactions energy: -2023.051 where: short stacking energy: -800.084 Base-Backbone interact. energy: 0.975 local terms energy: -790.331778 where: bonds (distance) C4'-P energy: -134.520 bonds (distance) P-C4' energy: -159.559 flat angles C4'-P-C4' energy: -156.628 flat angles P-C4'-P energy: -116.860 tors. eta vs tors. theta energy: -222.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -2669.740693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.740693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.740693 (E_RNA) where: Base-Base interactions energy: -1887.964 where: short stacking energy: -745.375 Base-Backbone interact. energy: -2.984 local terms energy: -778.792814 where: bonds (distance) C4'-P energy: -155.005 bonds (distance) P-C4' energy: -148.460 flat angles C4'-P-C4' energy: -174.627 flat angles P-C4'-P energy: -91.607 tors. eta vs tors. theta energy: -209.093 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: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3878.128731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3878.128731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3878.128731 (E_RNA) where: Base-Base interactions energy: -2812.088 where: short stacking energy: -1098.216 Base-Backbone interact. energy: -1.292 local terms energy: -1064.748686 where: bonds (distance) C4'-P energy: -185.543 bonds (distance) P-C4' energy: -190.191 flat angles C4'-P-C4' energy: -216.835 flat angles P-C4'-P energy: -161.009 tors. eta vs tors. theta energy: -311.171 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: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -3775.179072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3775.179072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3775.179072 (E_RNA) where: Base-Base interactions energy: -2756.428 where: short stacking energy: -1060.439 Base-Backbone interact. energy: -1.623 local terms energy: -1017.127918 where: bonds (distance) C4'-P energy: -181.455 bonds (distance) P-C4' energy: -177.960 flat angles C4'-P-C4' energy: -218.762 flat angles P-C4'-P energy: -152.654 tors. eta vs tors. theta energy: -286.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -3695.799245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3695.799245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3695.799245 (E_RNA) where: Base-Base interactions energy: -2653.005 where: short stacking energy: -1031.990 Base-Backbone interact. energy: -5.166 local terms energy: -1037.628435 where: bonds (distance) C4'-P energy: -193.269 bonds (distance) P-C4' energy: -180.019 flat angles C4'-P-C4' energy: -212.283 flat angles P-C4'-P energy: -144.924 tors. eta vs tors. theta energy: -307.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -3545.160241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3545.160241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3545.160241 (E_RNA) where: Base-Base interactions energy: -2580.990 where: short stacking energy: -994.691 Base-Backbone interact. energy: -3.958 local terms energy: -960.212114 where: bonds (distance) C4'-P energy: -169.643 bonds (distance) P-C4' energy: -175.746 flat angles C4'-P-C4' energy: -196.079 flat angles P-C4'-P energy: -134.437 tors. eta vs tors. theta energy: -284.307 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: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -3532.456462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3532.456462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3532.456462 (E_RNA) where: Base-Base interactions energy: -2579.268 where: short stacking energy: -973.175 Base-Backbone interact. energy: 0.491 local terms energy: -953.679058 where: bonds (distance) C4'-P energy: -162.186 bonds (distance) P-C4' energy: -169.288 flat angles C4'-P-C4' energy: -200.092 flat angles P-C4'-P energy: -137.040 tors. eta vs tors. theta energy: -285.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -3354.035330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.035330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.035330 (E_RNA) where: Base-Base interactions energy: -2445.730 where: short stacking energy: -948.683 Base-Backbone interact. energy: -1.221 local terms energy: -907.084307 where: bonds (distance) C4'-P energy: -147.180 bonds (distance) P-C4' energy: -160.780 flat angles C4'-P-C4' energy: -208.147 flat angles P-C4'-P energy: -124.579 tors. eta vs tors. theta energy: -266.398 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: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -3322.187609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3322.187609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3322.187609 (E_RNA) where: Base-Base interactions energy: -2456.795 where: short stacking energy: -935.642 Base-Backbone interact. energy: -0.199 local terms energy: -865.193634 where: bonds (distance) C4'-P energy: -132.604 bonds (distance) P-C4' energy: -140.950 flat angles C4'-P-C4' energy: -184.845 flat angles P-C4'-P energy: -140.675 tors. eta vs tors. theta energy: -266.118 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: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -3098.638531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.638531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.638531 (E_RNA) where: Base-Base interactions energy: -2268.543 where: short stacking energy: -880.888 Base-Backbone interact. energy: 1.219 local terms energy: -831.314164 where: bonds (distance) C4'-P energy: -151.945 bonds (distance) P-C4' energy: -147.667 flat angles C4'-P-C4' energy: -170.199 flat angles P-C4'-P energy: -110.769 tors. eta vs tors. theta energy: -250.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -2868.507918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.507918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.507918 (E_RNA) where: Base-Base interactions energy: -2060.523 where: short stacking energy: -815.221 Base-Backbone interact. energy: -0.773 local terms energy: -807.212426 where: bonds (distance) C4'-P energy: -124.927 bonds (distance) P-C4' energy: -135.163 flat angles C4'-P-C4' energy: -176.195 flat angles P-C4'-P energy: -134.274 tors. eta vs tors. theta energy: -236.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -2723.519204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.519204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.519204 (E_RNA) where: Base-Base interactions energy: -1956.919 where: short stacking energy: -746.379 Base-Backbone interact. energy: -1.761 local terms energy: -764.839291 where: bonds (distance) C4'-P energy: -149.161 bonds (distance) P-C4' energy: -132.821 flat angles C4'-P-C4' energy: -169.785 flat angles P-C4'-P energy: -109.245 tors. eta vs tors. theta energy: -203.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3867.556276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3867.556276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3867.556276 (E_RNA) where: Base-Base interactions energy: -2801.299 where: short stacking energy: -1098.871 Base-Backbone interact. energy: -1.289 local terms energy: -1064.967758 where: bonds (distance) C4'-P energy: -172.272 bonds (distance) P-C4' energy: -179.059 flat angles C4'-P-C4' energy: -234.231 flat angles P-C4'-P energy: -156.206 tors. eta vs tors. theta energy: -323.200 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: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -3790.036337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.036337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.036337 (E_RNA) where: Base-Base interactions energy: -2785.207 where: short stacking energy: -1070.219 Base-Backbone interact. energy: -3.274 local terms energy: -1001.555397 where: bonds (distance) C4'-P energy: -172.038 bonds (distance) P-C4' energy: -182.005 flat angles C4'-P-C4' energy: -205.983 flat angles P-C4'-P energy: -140.437 tors. eta vs tors. theta energy: -301.092 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: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -3678.419970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3678.419970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3678.419970 (E_RNA) where: Base-Base interactions energy: -2681.717 where: short stacking energy: -1056.459 Base-Backbone interact. energy: -1.809 local terms energy: -994.893549 where: bonds (distance) C4'-P energy: -160.182 bonds (distance) P-C4' energy: -178.931 flat angles C4'-P-C4' energy: -206.658 flat angles P-C4'-P energy: -137.606 tors. eta vs tors. theta energy: -311.517 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: 3 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -3599.294115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3599.294115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3599.294115 (E_RNA) where: Base-Base interactions energy: -2634.644 where: short stacking energy: -1004.282 Base-Backbone interact. energy: -2.533 local terms energy: -962.117878 where: bonds (distance) C4'-P energy: -160.539 bonds (distance) P-C4' energy: -167.248 flat angles C4'-P-C4' energy: -203.136 flat angles P-C4'-P energy: -147.823 tors. eta vs tors. theta energy: -283.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -3529.870254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3529.870254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3529.870254 (E_RNA) where: Base-Base interactions energy: -2595.661 where: short stacking energy: -1003.510 Base-Backbone interact. energy: 3.780 local terms energy: -937.989245 where: bonds (distance) C4'-P energy: -148.673 bonds (distance) P-C4' energy: -166.719 flat angles C4'-P-C4' energy: -193.566 flat angles P-C4'-P energy: -130.558 tors. eta vs tors. theta energy: -298.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -3367.843442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3367.843442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3367.843442 (E_RNA) where: Base-Base interactions energy: -2437.652 where: short stacking energy: -967.221 Base-Backbone interact. energy: 0.732 local terms energy: -930.923887 where: bonds (distance) C4'-P energy: -155.782 bonds (distance) P-C4' energy: -166.032 flat angles C4'-P-C4' energy: -210.563 flat angles P-C4'-P energy: -115.080 tors. eta vs tors. theta energy: -283.467 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: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -3277.145403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3277.145403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3277.145403 (E_RNA) where: Base-Base interactions energy: -2404.958 where: short stacking energy: -920.244 Base-Backbone interact. energy: 0.465 local terms energy: -872.652330 where: bonds (distance) C4'-P energy: -157.430 bonds (distance) P-C4' energy: -145.049 flat angles C4'-P-C4' energy: -184.551 flat angles P-C4'-P energy: -123.289 tors. eta vs tors. theta energy: -262.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -3071.317686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.317686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.317686 (E_RNA) where: Base-Base interactions energy: -2219.531 where: short stacking energy: -849.112 Base-Backbone interact. energy: -0.903 local terms energy: -850.884555 where: bonds (distance) C4'-P energy: -140.672 bonds (distance) P-C4' energy: -147.895 flat angles C4'-P-C4' energy: -201.695 flat angles P-C4'-P energy: -121.720 tors. eta vs tors. theta energy: -238.902 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: 7 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -2776.773933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.773933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.773933 (E_RNA) where: Base-Base interactions energy: -2008.105 where: short stacking energy: -779.142 Base-Backbone interact. energy: -1.997 local terms energy: -766.671835 where: bonds (distance) C4'-P energy: -140.304 bonds (distance) P-C4' energy: -144.683 flat angles C4'-P-C4' energy: -164.085 flat angles P-C4'-P energy: -103.100 tors. eta vs tors. theta energy: -214.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -2740.118175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.118175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.118175 (E_RNA) where: Base-Base interactions energy: -1946.290 where: short stacking energy: -773.800 Base-Backbone interact. energy: 5.725 local terms energy: -799.553280 where: bonds (distance) C4'-P energy: -144.661 bonds (distance) P-C4' energy: -146.257 flat angles C4'-P-C4' energy: -171.200 flat angles P-C4'-P energy: -130.229 tors. eta vs tors. theta energy: -207.206 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: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3857.817890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3857.817890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3857.817890 (E_RNA) where: Base-Base interactions energy: -2799.417 where: short stacking energy: -1077.095 Base-Backbone interact. energy: -1.119 local terms energy: -1057.282010 where: bonds (distance) C4'-P energy: -175.713 bonds (distance) P-C4' energy: -193.500 flat angles C4'-P-C4' energy: -214.340 flat angles P-C4'-P energy: -157.506 tors. eta vs tors. theta energy: -316.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3787.429469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3787.429469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3787.429469 (E_RNA) where: Base-Base interactions energy: -2796.984 where: short stacking energy: -1069.145 Base-Backbone interact. energy: -1.171 local terms energy: -989.274449 where: bonds (distance) C4'-P energy: -163.435 bonds (distance) P-C4' energy: -177.736 flat angles C4'-P-C4' energy: -212.798 flat angles P-C4'-P energy: -131.623 tors. eta vs tors. theta energy: -303.683 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: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -3678.872052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3678.872052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3678.872052 (E_RNA) where: Base-Base interactions energy: -2666.346 where: short stacking energy: -1044.924 Base-Backbone interact. energy: -2.433 local terms energy: -1010.093343 where: bonds (distance) C4'-P energy: -175.651 bonds (distance) P-C4' energy: -179.483 flat angles C4'-P-C4' energy: -217.570 flat angles P-C4'-P energy: -132.536 tors. eta vs tors. theta energy: -304.853 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: 314 Temperature: 1.050000 Total energy: -3571.608127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3571.608127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3571.608127 (E_RNA) where: Base-Base interactions energy: -2631.535 where: short stacking energy: -1029.626 Base-Backbone interact. energy: -0.935 local terms energy: -939.138651 where: bonds (distance) C4'-P energy: -172.184 bonds (distance) P-C4' energy: -149.201 flat angles C4'-P-C4' energy: -192.275 flat angles P-C4'-P energy: -139.125 tors. eta vs tors. theta energy: -286.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -3537.999351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3537.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3537.999351 (E_RNA) where: Base-Base interactions energy: -2579.434 where: short stacking energy: -984.302 Base-Backbone interact. energy: -1.275 local terms energy: -957.290033 where: bonds (distance) C4'-P energy: -161.495 bonds (distance) P-C4' energy: -157.280 flat angles C4'-P-C4' energy: -202.055 flat angles P-C4'-P energy: -142.917 tors. eta vs tors. theta energy: -293.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -3350.491757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.491757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.491757 (E_RNA) where: Base-Base interactions energy: -2425.628 where: short stacking energy: -945.165 Base-Backbone interact. energy: 0.351 local terms energy: -925.214633 where: bonds (distance) C4'-P energy: -148.605 bonds (distance) P-C4' energy: -165.526 flat angles C4'-P-C4' energy: -197.215 flat angles P-C4'-P energy: -127.807 tors. eta vs tors. theta energy: -286.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -3285.773609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.773609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.773609 (E_RNA) where: Base-Base interactions energy: -2418.782 where: short stacking energy: -921.234 Base-Backbone interact. energy: -3.060 local terms energy: -863.931420 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -153.480 flat angles C4'-P-C4' energy: -201.291 flat angles P-C4'-P energy: -106.468 tors. eta vs tors. theta energy: -270.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -3106.428496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.428496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.428496 (E_RNA) where: Base-Base interactions energy: -2239.147 where: short stacking energy: -872.816 Base-Backbone interact. energy: -0.736 local terms energy: -866.544593 where: bonds (distance) C4'-P energy: -126.848 bonds (distance) P-C4' energy: -161.803 flat angles C4'-P-C4' energy: -183.022 flat angles P-C4'-P energy: -140.163 tors. eta vs tors. theta energy: -254.709 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -2887.593313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.593313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.593313 (E_RNA) where: Base-Base interactions energy: -2105.199 where: short stacking energy: -799.766 Base-Backbone interact. energy: 0.525 local terms energy: -782.919757 where: bonds (distance) C4'-P energy: -130.683 bonds (distance) P-C4' energy: -148.617 flat angles C4'-P-C4' energy: -171.501 flat angles P-C4'-P energy: -102.674 tors. eta vs tors. theta energy: -229.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -2757.002476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.002476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.002476 (E_RNA) where: Base-Base interactions energy: -2028.591 where: short stacking energy: -798.915 Base-Backbone interact. energy: -0.806 local terms energy: -727.605563 where: bonds (distance) C4'-P energy: -117.175 bonds (distance) P-C4' energy: -137.566 flat angles C4'-P-C4' energy: -161.014 flat angles P-C4'-P energy: -92.988 tors. eta vs tors. theta energy: -218.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3869.145504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3869.145504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3869.145504 (E_RNA) where: Base-Base interactions energy: -2820.480 where: short stacking energy: -1093.572 Base-Backbone interact. energy: -2.275 local terms energy: -1046.390645 where: bonds (distance) C4'-P energy: -178.062 bonds (distance) P-C4' energy: -182.948 flat angles C4'-P-C4' energy: -223.216 flat angles P-C4'-P energy: -146.867 tors. eta vs tors. theta energy: -315.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -3768.552572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3768.552572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3768.552572 (E_RNA) where: Base-Base interactions energy: -2796.659 where: short stacking energy: -1050.667 Base-Backbone interact. energy: -0.639 local terms energy: -971.255275 where: bonds (distance) C4'-P energy: -160.013 bonds (distance) P-C4' energy: -156.057 flat angles C4'-P-C4' energy: -218.251 flat angles P-C4'-P energy: -132.249 tors. eta vs tors. theta energy: -304.686 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: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -3674.135717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3674.135717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3674.135717 (E_RNA) where: Base-Base interactions energy: -2673.627 where: short stacking energy: -1048.987 Base-Backbone interact. energy: -0.358 local terms energy: -1000.151281 where: bonds (distance) C4'-P energy: -157.772 bonds (distance) P-C4' energy: -175.864 flat angles C4'-P-C4' energy: -216.325 flat angles P-C4'-P energy: -149.774 tors. eta vs tors. theta energy: -300.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -3561.434761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3561.434761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3561.434761 (E_RNA) where: Base-Base interactions energy: -2589.983 where: short stacking energy: -985.773 Base-Backbone interact. energy: -2.146 local terms energy: -969.305878 where: bonds (distance) C4'-P energy: -156.631 bonds (distance) P-C4' energy: -170.521 flat angles C4'-P-C4' energy: -211.615 flat angles P-C4'-P energy: -144.938 tors. eta vs tors. theta energy: -285.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -3507.207741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3507.207741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3507.207741 (E_RNA) where: Base-Base interactions energy: -2570.740 where: short stacking energy: -963.236 Base-Backbone interact. energy: 1.484 local terms energy: -937.951391 where: bonds (distance) C4'-P energy: -152.202 bonds (distance) P-C4' energy: -168.060 flat angles C4'-P-C4' energy: -207.323 flat angles P-C4'-P energy: -137.721 tors. eta vs tors. theta energy: -272.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -3323.612491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.612491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.612491 (E_RNA) where: Base-Base interactions energy: -2416.398 where: short stacking energy: -939.512 Base-Backbone interact. energy: 2.957 local terms energy: -910.171734 where: bonds (distance) C4'-P energy: -153.933 bonds (distance) P-C4' energy: -159.002 flat angles C4'-P-C4' energy: -199.610 flat angles P-C4'-P energy: -134.599 tors. eta vs tors. theta energy: -263.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -3292.709415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.709415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.709415 (E_RNA) where: Base-Base interactions energy: -2375.062 where: short stacking energy: -916.384 Base-Backbone interact. energy: -1.486 local terms energy: -916.161019 where: bonds (distance) C4'-P energy: -153.813 bonds (distance) P-C4' energy: -151.793 flat angles C4'-P-C4' energy: -206.815 flat angles P-C4'-P energy: -136.490 tors. eta vs tors. theta energy: -267.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -3107.947590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.947590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.947590 (E_RNA) where: Base-Base interactions energy: -2268.342 where: short stacking energy: -876.722 Base-Backbone interact. energy: -0.564 local terms energy: -839.041938 where: bonds (distance) C4'-P energy: -154.986 bonds (distance) P-C4' energy: -144.708 flat angles C4'-P-C4' energy: -181.661 flat angles P-C4'-P energy: -109.582 tors. eta vs tors. theta energy: -248.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -2993.618071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.618071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.618071 (E_RNA) where: Base-Base interactions energy: -2129.804 where: short stacking energy: -816.751 Base-Backbone interact. energy: -1.957 local terms energy: -861.857466 where: bonds (distance) C4'-P energy: -156.957 bonds (distance) P-C4' energy: -135.824 flat angles C4'-P-C4' energy: -180.964 flat angles P-C4'-P energy: -133.125 tors. eta vs tors. theta energy: -254.988 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: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -2767.365323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.365323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.365323 (E_RNA) where: Base-Base interactions energy: -1989.758 where: short stacking energy: -770.897 Base-Backbone interact. energy: -0.538 local terms energy: -777.069923 where: bonds (distance) C4'-P energy: -130.484 bonds (distance) P-C4' energy: -140.761 flat angles C4'-P-C4' energy: -174.952 flat angles P-C4'-P energy: -104.425 tors. eta vs tors. theta energy: -226.449 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: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3879.195467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3879.195467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3879.195467 (E_RNA) where: Base-Base interactions energy: -2813.322 where: short stacking energy: -1077.236 Base-Backbone interact. energy: -0.434 local terms energy: -1065.439549 where: bonds (distance) C4'-P energy: -174.575 bonds (distance) P-C4' energy: -194.738 flat angles C4'-P-C4' energy: -223.585 flat angles P-C4'-P energy: -154.891 tors. eta vs tors. theta energy: -317.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -3802.416925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3802.416925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3802.416925 (E_RNA) where: Base-Base interactions energy: -2764.714 where: short stacking energy: -1071.152 Base-Backbone interact. energy: 0.601 local terms energy: -1038.304744 where: bonds (distance) C4'-P energy: -161.710 bonds (distance) P-C4' energy: -189.061 flat angles C4'-P-C4' energy: -216.800 flat angles P-C4'-P energy: -154.982 tors. eta vs tors. theta energy: -315.752 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: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -3669.926832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3669.926832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3669.926832 (E_RNA) where: Base-Base interactions energy: -2658.898 where: short stacking energy: -1050.228 Base-Backbone interact. energy: -2.477 local terms energy: -1008.552264 where: bonds (distance) C4'-P energy: -175.473 bonds (distance) P-C4' energy: -172.891 flat angles C4'-P-C4' energy: -204.454 flat angles P-C4'-P energy: -148.928 tors. eta vs tors. theta energy: -306.806 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: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -3606.918795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3606.918795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3606.918795 (E_RNA) where: Base-Base interactions energy: -2644.711 where: short stacking energy: -1012.681 Base-Backbone interact. energy: -1.296 local terms energy: -960.911226 where: bonds (distance) C4'-P energy: -174.366 bonds (distance) P-C4' energy: -146.328 flat angles C4'-P-C4' energy: -197.943 flat angles P-C4'-P energy: -154.476 tors. eta vs tors. theta energy: -287.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -3524.300240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3524.300240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3524.300240 (E_RNA) where: Base-Base interactions energy: -2569.199 where: short stacking energy: -983.235 Base-Backbone interact. energy: -2.349 local terms energy: -952.752480 where: bonds (distance) C4'-P energy: -149.915 bonds (distance) P-C4' energy: -174.978 flat angles C4'-P-C4' energy: -212.637 flat angles P-C4'-P energy: -133.977 tors. eta vs tors. theta energy: -281.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -3393.394418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3393.394418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3393.394418 (E_RNA) where: Base-Base interactions energy: -2459.045 where: short stacking energy: -954.836 Base-Backbone interact. energy: 2.168 local terms energy: -936.517309 where: bonds (distance) C4'-P energy: -163.193 bonds (distance) P-C4' energy: -156.127 flat angles C4'-P-C4' energy: -217.920 flat angles P-C4'-P energy: -128.557 tors. eta vs tors. theta energy: -270.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -3277.041377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3277.041377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3277.041377 (E_RNA) where: Base-Base interactions energy: -2398.492 where: short stacking energy: -928.576 Base-Backbone interact. energy: -0.829 local terms energy: -877.720996 where: bonds (distance) C4'-P energy: -124.706 bonds (distance) P-C4' energy: -144.409 flat angles C4'-P-C4' energy: -195.178 flat angles P-C4'-P energy: -123.121 tors. eta vs tors. theta energy: -290.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -3165.668762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.668762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.668762 (E_RNA) where: Base-Base interactions energy: -2313.406 where: short stacking energy: -907.937 Base-Backbone interact. energy: 0.271 local terms energy: -852.533009 where: bonds (distance) C4'-P energy: -135.019 bonds (distance) P-C4' energy: -137.992 flat angles C4'-P-C4' energy: -192.504 flat angles P-C4'-P energy: -129.789 tors. eta vs tors. theta energy: -257.229 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: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -3001.385487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.385487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.385487 (E_RNA) where: Base-Base interactions energy: -2154.977 where: short stacking energy: -834.451 Base-Backbone interact. energy: 0.600 local terms energy: -847.008342 where: bonds (distance) C4'-P energy: -154.892 bonds (distance) P-C4' energy: -158.114 flat angles C4'-P-C4' energy: -189.954 flat angles P-C4'-P energy: -105.945 tors. eta vs tors. theta energy: -238.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -2827.824341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.824341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.824341 (E_RNA) where: Base-Base interactions energy: -2017.650 where: short stacking energy: -787.724 Base-Backbone interact. energy: -1.130 local terms energy: -809.044186 where: bonds (distance) C4'-P energy: -156.531 bonds (distance) P-C4' energy: -136.212 flat angles C4'-P-C4' energy: -173.870 flat angles P-C4'-P energy: -113.163 tors. eta vs tors. theta energy: -229.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3894.517709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3894.517709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3894.517709 (E_RNA) where: Base-Base interactions energy: -2823.882 where: short stacking energy: -1091.175 Base-Backbone interact. energy: 0.040 local terms energy: -1070.675443 where: bonds (distance) C4'-P energy: -180.571 bonds (distance) P-C4' energy: -190.639 flat angles C4'-P-C4' energy: -226.587 flat angles P-C4'-P energy: -150.359 tors. eta vs tors. theta energy: -322.519 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: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -3785.835551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3785.835551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3785.835551 (E_RNA) where: Base-Base interactions energy: -2766.500 where: short stacking energy: -1091.764 Base-Backbone interact. energy: -2.115 local terms energy: -1017.221193 where: bonds (distance) C4'-P energy: -170.811 bonds (distance) P-C4' energy: -182.390 flat angles C4'-P-C4' energy: -222.257 flat angles P-C4'-P energy: -142.097 tors. eta vs tors. theta energy: -299.665 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: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -3654.542799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3654.542799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3654.542799 (E_RNA) where: Base-Base interactions energy: -2642.566 where: short stacking energy: -1035.505 Base-Backbone interact. energy: -2.496 local terms energy: -1009.480814 where: bonds (distance) C4'-P energy: -165.375 bonds (distance) P-C4' energy: -178.637 flat angles C4'-P-C4' energy: -215.196 flat angles P-C4'-P energy: -152.798 tors. eta vs tors. theta energy: -297.475 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: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -3594.275248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3594.275248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3594.275248 (E_RNA) where: Base-Base interactions energy: -2623.275 where: short stacking energy: -990.610 Base-Backbone interact. energy: 0.500 local terms energy: -971.500725 where: bonds (distance) C4'-P energy: -168.019 bonds (distance) P-C4' energy: -176.586 flat angles C4'-P-C4' energy: -199.953 flat angles P-C4'-P energy: -136.363 tors. eta vs tors. theta energy: -290.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -3553.018743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3553.018743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3553.018743 (E_RNA) where: Base-Base interactions energy: -2579.979 where: short stacking energy: -977.318 Base-Backbone interact. energy: -2.029 local terms energy: -971.010858 where: bonds (distance) C4'-P energy: -181.925 bonds (distance) P-C4' energy: -169.388 flat angles C4'-P-C4' energy: -191.251 flat angles P-C4'-P energy: -148.467 tors. eta vs tors. theta energy: -279.979 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: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -3393.340793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3393.340793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3393.340793 (E_RNA) where: Base-Base interactions energy: -2482.294 where: short stacking energy: -969.295 Base-Backbone interact. energy: 4.049 local terms energy: -915.095503 where: bonds (distance) C4'-P energy: -168.427 bonds (distance) P-C4' energy: -157.058 flat angles C4'-P-C4' energy: -197.947 flat angles P-C4'-P energy: -126.640 tors. eta vs tors. theta energy: -265.023 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: 317 Temperature: 1.200000 Total energy: -3285.398785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.398785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.398785 (E_RNA) where: Base-Base interactions energy: -2381.412 where: short stacking energy: -897.941 Base-Backbone interact. energy: 1.875 local terms energy: -905.861761 where: bonds (distance) C4'-P energy: -174.890 bonds (distance) P-C4' energy: -162.140 flat angles C4'-P-C4' energy: -179.554 flat angles P-C4'-P energy: -118.423 tors. eta vs tors. theta energy: -270.855 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: 8, replica: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -3180.776115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.776115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.776115 (E_RNA) where: Base-Base interactions energy: -2316.260 where: short stacking energy: -900.997 Base-Backbone interact. energy: -1.272 local terms energy: -863.244468 where: bonds (distance) C4'-P energy: -147.266 bonds (distance) P-C4' energy: -145.115 flat angles C4'-P-C4' energy: -195.870 flat angles P-C4'-P energy: -119.717 tors. eta vs tors. theta energy: -255.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -3013.209590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.209590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.209590 (E_RNA) where: Base-Base interactions energy: -2188.336 where: short stacking energy: -844.472 Base-Backbone interact. energy: 1.745 local terms energy: -826.619096 where: bonds (distance) C4'-P energy: -133.343 bonds (distance) P-C4' energy: -154.855 flat angles C4'-P-C4' energy: -167.116 flat angles P-C4'-P energy: -123.172 tors. eta vs tors. theta energy: -248.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -2784.057445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.057445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.057445 (E_RNA) where: Base-Base interactions energy: -2031.782 where: short stacking energy: -814.165 Base-Backbone interact. energy: 5.531 local terms energy: -757.806490 where: bonds (distance) C4'-P energy: -140.230 bonds (distance) P-C4' energy: -144.980 flat angles C4'-P-C4' energy: -161.860 flat angles P-C4'-P energy: -79.201 tors. eta vs tors. theta energy: -231.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3881.610928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3881.610928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3881.610928 (E_RNA) where: Base-Base interactions energy: -2814.696 where: short stacking energy: -1100.956 Base-Backbone interact. energy: 0.108 local terms energy: -1067.023656 where: bonds (distance) C4'-P energy: -184.720 bonds (distance) P-C4' energy: -172.698 flat angles C4'-P-C4' energy: -228.867 flat angles P-C4'-P energy: -161.822 tors. eta vs tors. theta energy: -318.915 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: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -3761.729445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3761.729445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3761.729445 (E_RNA) where: Base-Base interactions energy: -2725.088 where: short stacking energy: -1063.133 Base-Backbone interact. energy: -0.923 local terms energy: -1035.718288 where: bonds (distance) C4'-P energy: -166.561 bonds (distance) P-C4' energy: -188.090 flat angles C4'-P-C4' energy: -230.588 flat angles P-C4'-P energy: -155.532 tors. eta vs tors. theta energy: -294.948 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: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -3681.365926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3681.365926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3681.365926 (E_RNA) where: Base-Base interactions energy: -2668.783 where: short stacking energy: -1033.649 Base-Backbone interact. energy: -0.147 local terms energy: -1012.436169 where: bonds (distance) C4'-P energy: -182.917 bonds (distance) P-C4' energy: -179.487 flat angles C4'-P-C4' energy: -206.797 flat angles P-C4'-P energy: -142.606 tors. eta vs tors. theta energy: -300.629 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: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -3628.441999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3628.441999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3628.441999 (E_RNA) where: Base-Base interactions energy: -2656.861 where: short stacking energy: -1038.049 Base-Backbone interact. energy: -0.625 local terms energy: -970.955826 where: bonds (distance) C4'-P energy: -148.587 bonds (distance) P-C4' energy: -173.533 flat angles C4'-P-C4' energy: -211.333 flat angles P-C4'-P energy: -127.563 tors. eta vs tors. theta energy: -309.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -3542.889888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3542.889888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3542.889888 (E_RNA) where: Base-Base interactions energy: -2615.599 where: short stacking energy: -991.977 Base-Backbone interact. energy: 0.299 local terms energy: -927.589783 where: bonds (distance) C4'-P energy: -159.156 bonds (distance) P-C4' energy: -145.540 flat angles C4'-P-C4' energy: -200.382 flat angles P-C4'-P energy: -135.834 tors. eta vs tors. theta energy: -286.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -3403.591901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3403.591901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3403.591901 (E_RNA) where: Base-Base interactions energy: -2461.084 where: short stacking energy: -931.289 Base-Backbone interact. energy: 3.606 local terms energy: -946.114358 where: bonds (distance) C4'-P energy: -155.782 bonds (distance) P-C4' energy: -185.919 flat angles C4'-P-C4' energy: -207.293 flat angles P-C4'-P energy: -125.796 tors. eta vs tors. theta energy: -271.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -3201.271143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.271143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.271143 (E_RNA) where: Base-Base interactions energy: -2317.824 where: short stacking energy: -913.729 Base-Backbone interact. energy: 3.885 local terms energy: -887.331368 where: bonds (distance) C4'-P energy: -158.197 bonds (distance) P-C4' energy: -148.325 flat angles C4'-P-C4' energy: -197.656 flat angles P-C4'-P energy: -121.445 tors. eta vs tors. theta energy: -261.709 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: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -3109.114241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.114241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.114241 (E_RNA) where: Base-Base interactions energy: -2241.713 where: short stacking energy: -890.672 Base-Backbone interact. energy: -0.676 local terms energy: -866.724518 where: bonds (distance) C4'-P energy: -128.607 bonds (distance) P-C4' energy: -164.622 flat angles C4'-P-C4' energy: -186.634 flat angles P-C4'-P energy: -121.884 tors. eta vs tors. theta energy: -264.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -2970.241090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.241090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.241090 (E_RNA) where: Base-Base interactions energy: -2122.732 where: short stacking energy: -822.330 Base-Backbone interact. energy: -0.547 local terms energy: -846.962488 where: bonds (distance) C4'-P energy: -142.551 bonds (distance) P-C4' energy: -154.941 flat angles C4'-P-C4' energy: -186.182 flat angles P-C4'-P energy: -122.107 tors. eta vs tors. theta energy: -241.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -2808.958274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.958274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.958274 (E_RNA) where: Base-Base interactions energy: -2025.355 where: short stacking energy: -824.096 Base-Backbone interact. energy: 4.016 local terms energy: -787.619530 where: bonds (distance) C4'-P energy: -150.550 bonds (distance) P-C4' energy: -137.374 flat angles C4'-P-C4' energy: -167.899 flat angles P-C4'-P energy: -118.459 tors. eta vs tors. theta energy: -213.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3865.073638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3865.073638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3865.073638 (E_RNA) where: Base-Base interactions energy: -2799.611 where: short stacking energy: -1083.618 Base-Backbone interact. energy: 0.034 local terms energy: -1065.496568 where: bonds (distance) C4'-P energy: -170.268 bonds (distance) P-C4' energy: -203.222 flat angles C4'-P-C4' energy: -222.427 flat angles P-C4'-P energy: -147.290 tors. eta vs tors. theta energy: -322.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -3751.905837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3751.905837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3751.905837 (E_RNA) where: Base-Base interactions energy: -2740.767 where: short stacking energy: -1056.892 Base-Backbone interact. energy: -1.149 local terms energy: -1009.989011 where: bonds (distance) C4'-P energy: -190.929 bonds (distance) P-C4' energy: -175.392 flat angles C4'-P-C4' energy: -208.195 flat angles P-C4'-P energy: -141.034 tors. eta vs tors. theta energy: -294.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -3685.603682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3685.603682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3685.603682 (E_RNA) where: Base-Base interactions energy: -2696.451 where: short stacking energy: -1050.878 Base-Backbone interact. energy: -0.191 local terms energy: -988.961489 where: bonds (distance) C4'-P energy: -161.149 bonds (distance) P-C4' energy: -162.589 flat angles C4'-P-C4' energy: -216.310 flat angles P-C4'-P energy: -143.905 tors. eta vs tors. theta energy: -305.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -3615.731684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3615.731684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3615.731684 (E_RNA) where: Base-Base interactions energy: -2628.857 where: short stacking energy: -1010.392 Base-Backbone interact. energy: -4.865 local terms energy: -982.009113 where: bonds (distance) C4'-P energy: -167.317 bonds (distance) P-C4' energy: -156.578 flat angles C4'-P-C4' energy: -211.471 flat angles P-C4'-P energy: -146.440 tors. eta vs tors. theta energy: -300.203 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: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -3566.503234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.503234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.503234 (E_RNA) where: Base-Base interactions energy: -2594.980 where: short stacking energy: -972.843 Base-Backbone interact. energy: 1.016 local terms energy: -972.538901 where: bonds (distance) C4'-P energy: -174.888 bonds (distance) P-C4' energy: -167.502 flat angles C4'-P-C4' energy: -210.617 flat angles P-C4'-P energy: -131.245 tors. eta vs tors. theta energy: -288.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -3401.737359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3401.737359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3401.737359 (E_RNA) where: Base-Base interactions energy: -2478.584 where: short stacking energy: -970.199 Base-Backbone interact. energy: 3.564 local terms energy: -926.717605 where: bonds (distance) C4'-P energy: -159.811 bonds (distance) P-C4' energy: -164.539 flat angles C4'-P-C4' energy: -200.002 flat angles P-C4'-P energy: -125.264 tors. eta vs tors. theta energy: -277.101 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: 319 Temperature: 1.200000 Total energy: -3171.269584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.269584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.269584 (E_RNA) where: Base-Base interactions energy: -2280.458 where: short stacking energy: -890.557 Base-Backbone interact. energy: -2.730 local terms energy: -888.081784 where: bonds (distance) C4'-P energy: -158.801 bonds (distance) P-C4' energy: -135.473 flat angles C4'-P-C4' energy: -189.477 flat angles P-C4'-P energy: -133.652 tors. eta vs tors. theta energy: -270.678 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: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2991.087018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.087018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.087018 (E_RNA) where: Base-Base interactions energy: -2173.522 where: short stacking energy: -844.762 Base-Backbone interact. energy: 1.820 local terms energy: -819.385344 where: bonds (distance) C4'-P energy: -136.709 bonds (distance) P-C4' energy: -148.926 flat angles C4'-P-C4' energy: -193.651 flat angles P-C4'-P energy: -106.615 tors. eta vs tors. theta energy: -233.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -3090.541633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.541633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.541633 (E_RNA) where: Base-Base interactions energy: -2224.498 where: short stacking energy: -835.661 Base-Backbone interact. energy: 0.404 local terms energy: -866.447590 where: bonds (distance) C4'-P energy: -168.400 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -177.826 flat angles P-C4'-P energy: -118.203 tors. eta vs tors. theta energy: -253.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -2827.033356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.033356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.033356 (E_RNA) where: Base-Base interactions energy: -2032.075 where: short stacking energy: -815.408 Base-Backbone interact. energy: 5.262 local terms energy: -800.219992 where: bonds (distance) C4'-P energy: -135.571 bonds (distance) P-C4' energy: -153.688 flat angles C4'-P-C4' energy: -163.336 flat angles P-C4'-P energy: -109.209 tors. eta vs tors. theta energy: -238.415 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: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3903.441318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3903.441318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3903.441318 (E_RNA) where: Base-Base interactions energy: -2841.904 where: short stacking energy: -1092.892 Base-Backbone interact. energy: -1.586 local terms energy: -1059.951682 where: bonds (distance) C4'-P energy: -183.618 bonds (distance) P-C4' energy: -191.442 flat angles C4'-P-C4' energy: -219.306 flat angles P-C4'-P energy: -140.868 tors. eta vs tors. theta energy: -324.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -3790.231042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.231042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.231042 (E_RNA) where: Base-Base interactions energy: -2750.203 where: short stacking energy: -1053.064 Base-Backbone interact. energy: 1.546 local terms energy: -1041.574315 where: bonds (distance) C4'-P energy: -178.197 bonds (distance) P-C4' energy: -193.457 flat angles C4'-P-C4' energy: -216.007 flat angles P-C4'-P energy: -151.689 tors. eta vs tors. theta energy: -302.223 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: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -3712.525455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3712.525455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3712.525455 (E_RNA) where: Base-Base interactions energy: -2689.313 where: short stacking energy: -1018.439 Base-Backbone interact. energy: -2.461 local terms energy: -1020.752027 where: bonds (distance) C4'-P energy: -180.678 bonds (distance) P-C4' energy: -183.222 flat angles C4'-P-C4' energy: -206.963 flat angles P-C4'-P energy: -144.489 tors. eta vs tors. theta energy: -305.400 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: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -3604.935646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.935646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3604.935646 (E_RNA) where: Base-Base interactions energy: -2600.998 where: short stacking energy: -1017.508 Base-Backbone interact. energy: -1.493 local terms energy: -1002.445139 where: bonds (distance) C4'-P energy: -167.890 bonds (distance) P-C4' energy: -170.009 flat angles C4'-P-C4' energy: -214.701 flat angles P-C4'-P energy: -144.454 tors. eta vs tors. theta energy: -305.391 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: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -3498.381720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3498.381720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3498.381720 (E_RNA) where: Base-Base interactions energy: -2563.909 where: short stacking energy: -994.372 Base-Backbone interact. energy: 1.659 local terms energy: -936.131988 where: bonds (distance) C4'-P energy: -162.336 bonds (distance) P-C4' energy: -165.080 flat angles C4'-P-C4' energy: -186.481 flat angles P-C4'-P energy: -137.289 tors. eta vs tors. theta energy: -284.946 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: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -3387.097764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.097764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.097764 (E_RNA) where: Base-Base interactions energy: -2461.916 where: short stacking energy: -945.059 Base-Backbone interact. energy: 2.116 local terms energy: -927.297593 where: bonds (distance) C4'-P energy: -172.131 bonds (distance) P-C4' energy: -168.825 flat angles C4'-P-C4' energy: -200.724 flat angles P-C4'-P energy: -119.345 tors. eta vs tors. theta energy: -266.272 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: 7, replica: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -3181.718681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.718681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.718681 (E_RNA) where: Base-Base interactions energy: -2299.267 where: short stacking energy: -880.890 Base-Backbone interact. energy: -0.419 local terms energy: -882.032650 where: bonds (distance) C4'-P energy: -151.952 bonds (distance) P-C4' energy: -167.112 flat angles C4'-P-C4' energy: -185.007 flat angles P-C4'-P energy: -120.065 tors. eta vs tors. theta energy: -257.896 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: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -3098.216685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.216685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.216685 (E_RNA) where: Base-Base interactions energy: -2237.345 where: short stacking energy: -886.360 Base-Backbone interact. energy: 0.085 local terms energy: -860.956545 where: bonds (distance) C4'-P energy: -143.072 bonds (distance) P-C4' energy: -155.386 flat angles C4'-P-C4' energy: -182.611 flat angles P-C4'-P energy: -125.667 tors. eta vs tors. theta energy: -254.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -3055.860021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.860021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.860021 (E_RNA) where: Base-Base interactions energy: -2223.814 where: short stacking energy: -855.480 Base-Backbone interact. energy: 9.308 local terms energy: -841.353634 where: bonds (distance) C4'-P energy: -144.196 bonds (distance) P-C4' energy: -167.393 flat angles C4'-P-C4' energy: -162.138 flat angles P-C4'-P energy: -119.935 tors. eta vs tors. theta energy: -247.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -2750.721434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.721434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.721434 (E_RNA) where: Base-Base interactions energy: -1977.828 where: short stacking energy: -765.428 Base-Backbone interact. energy: 4.467 local terms energy: -777.360697 where: bonds (distance) C4'-P energy: -135.780 bonds (distance) P-C4' energy: -136.388 flat angles C4'-P-C4' energy: -158.015 flat angles P-C4'-P energy: -106.232 tors. eta vs tors. theta energy: -240.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3856.997152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3856.997152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3856.997152 (E_RNA) where: Base-Base interactions energy: -2794.500 where: short stacking energy: -1086.530 Base-Backbone interact. energy: -2.667 local terms energy: -1059.830488 where: bonds (distance) C4'-P energy: -188.457 bonds (distance) P-C4' energy: -182.533 flat angles C4'-P-C4' energy: -222.035 flat angles P-C4'-P energy: -154.704 tors. eta vs tors. theta energy: -312.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -3782.112915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3782.112915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3782.112915 (E_RNA) where: Base-Base interactions energy: -2757.198 where: short stacking energy: -1045.519 Base-Backbone interact. energy: -3.621 local terms energy: -1021.293774 where: bonds (distance) C4'-P energy: -168.554 bonds (distance) P-C4' energy: -200.398 flat angles C4'-P-C4' energy: -210.663 flat angles P-C4'-P energy: -141.016 tors. eta vs tors. theta energy: -300.663 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: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -3687.860370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3687.860370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3687.860370 (E_RNA) where: Base-Base interactions energy: -2682.315 where: short stacking energy: -1020.379 Base-Backbone interact. energy: -1.620 local terms energy: -1003.924758 where: bonds (distance) C4'-P energy: -164.570 bonds (distance) P-C4' energy: -178.809 flat angles C4'-P-C4' energy: -211.914 flat angles P-C4'-P energy: -138.806 tors. eta vs tors. theta energy: -309.825 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: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -3585.500663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3585.500663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3585.500663 (E_RNA) where: Base-Base interactions energy: -2621.912 where: short stacking energy: -1012.362 Base-Backbone interact. energy: -0.642 local terms energy: -962.946366 where: bonds (distance) C4'-P energy: -167.156 bonds (distance) P-C4' energy: -158.937 flat angles C4'-P-C4' energy: -204.190 flat angles P-C4'-P energy: -131.936 tors. eta vs tors. theta energy: -300.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -3504.549131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3504.549131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3504.549131 (E_RNA) where: Base-Base interactions energy: -2579.487 where: short stacking energy: -1015.289 Base-Backbone interact. energy: -2.467 local terms energy: -922.595624 where: bonds (distance) C4'-P energy: -165.649 bonds (distance) P-C4' energy: -150.076 flat angles C4'-P-C4' energy: -207.530 flat angles P-C4'-P energy: -122.525 tors. eta vs tors. theta energy: -276.814 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: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -3412.904997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3412.904997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3412.904997 (E_RNA) where: Base-Base interactions energy: -2505.429 where: short stacking energy: -970.071 Base-Backbone interact. energy: -2.563 local terms energy: -904.913176 where: bonds (distance) C4'-P energy: -157.087 bonds (distance) P-C4' energy: -154.431 flat angles C4'-P-C4' energy: -195.792 flat angles P-C4'-P energy: -127.053 tors. eta vs tors. theta energy: -270.551 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: 321 Temperature: 1.200000 Total energy: -3218.004037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.004037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.004037 (E_RNA) where: Base-Base interactions energy: -2361.320 where: short stacking energy: -922.507 Base-Backbone interact. energy: 0.754 local terms energy: -857.438261 where: bonds (distance) C4'-P energy: -151.220 bonds (distance) P-C4' energy: -158.765 flat angles C4'-P-C4' energy: -172.401 flat angles P-C4'-P energy: -125.276 tors. eta vs tors. theta energy: -249.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -3081.965379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.965379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.965379 (E_RNA) where: Base-Base interactions energy: -2188.452 where: short stacking energy: -866.275 Base-Backbone interact. energy: -2.233 local terms energy: -891.280318 where: bonds (distance) C4'-P energy: -160.595 bonds (distance) P-C4' energy: -153.479 flat angles C4'-P-C4' energy: -198.997 flat angles P-C4'-P energy: -114.022 tors. eta vs tors. theta energy: -264.187 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: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -3035.697645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.697645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.697645 (E_RNA) where: Base-Base interactions energy: -2214.085 where: short stacking energy: -846.853 Base-Backbone interact. energy: 2.209 local terms energy: -823.822372 where: bonds (distance) C4'-P energy: -114.399 bonds (distance) P-C4' energy: -132.780 flat angles C4'-P-C4' energy: -189.631 flat angles P-C4'-P energy: -138.159 tors. eta vs tors. theta energy: -248.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -2808.801149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.801149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.801149 (E_RNA) where: Base-Base interactions energy: -2023.064 where: short stacking energy: -775.616 Base-Backbone interact. energy: -0.426 local terms energy: -785.310639 where: bonds (distance) C4'-P energy: -145.453 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -185.438 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -225.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3868.348557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3868.348557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3868.348557 (E_RNA) where: Base-Base interactions energy: -2814.522 where: short stacking energy: -1110.454 Base-Backbone interact. energy: -1.865 local terms energy: -1051.961918 where: bonds (distance) C4'-P energy: -189.397 bonds (distance) P-C4' energy: -170.627 flat angles C4'-P-C4' energy: -222.152 flat angles P-C4'-P energy: -150.149 tors. eta vs tors. theta energy: -319.637 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: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -3807.570725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3807.570725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3807.570725 (E_RNA) where: Base-Base interactions energy: -2770.652 where: short stacking energy: -1062.383 Base-Backbone interact. energy: 8.329 local terms energy: -1045.247918 where: bonds (distance) C4'-P energy: -178.949 bonds (distance) P-C4' energy: -198.220 flat angles C4'-P-C4' energy: -217.459 flat angles P-C4'-P energy: -145.113 tors. eta vs tors. theta energy: -305.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -3704.724229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3704.724229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3704.724229 (E_RNA) where: Base-Base interactions energy: -2682.743 where: short stacking energy: -1052.319 Base-Backbone interact. energy: -2.332 local terms energy: -1019.649466 where: bonds (distance) C4'-P energy: -172.971 bonds (distance) P-C4' energy: -179.317 flat angles C4'-P-C4' energy: -218.193 flat angles P-C4'-P energy: -144.420 tors. eta vs tors. theta energy: -304.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -3656.080205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.080205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.080205 (E_RNA) where: Base-Base interactions energy: -2645.482 where: short stacking energy: -1043.866 Base-Backbone interact. energy: -3.112 local terms energy: -1007.486918 where: bonds (distance) C4'-P energy: -172.906 bonds (distance) P-C4' energy: -169.178 flat angles C4'-P-C4' energy: -204.266 flat angles P-C4'-P energy: -152.602 tors. eta vs tors. theta energy: -308.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -3518.505200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3518.505200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3518.505200 (E_RNA) where: Base-Base interactions energy: -2580.474 where: short stacking energy: -993.015 Base-Backbone interact. energy: 1.921 local terms energy: -939.951775 where: bonds (distance) C4'-P energy: -152.476 bonds (distance) P-C4' energy: -173.169 flat angles C4'-P-C4' energy: -205.381 flat angles P-C4'-P energy: -128.935 tors. eta vs tors. theta energy: -279.991 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: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -3405.516317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.516317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.516317 (E_RNA) where: Base-Base interactions energy: -2494.752 where: short stacking energy: -945.456 Base-Backbone interact. energy: -1.856 local terms energy: -908.907838 where: bonds (distance) C4'-P energy: -157.097 bonds (distance) P-C4' energy: -153.732 flat angles C4'-P-C4' energy: -204.004 flat angles P-C4'-P energy: -119.883 tors. eta vs tors. theta energy: -274.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -3214.686191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.686191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.686191 (E_RNA) where: Base-Base interactions energy: -2311.035 where: short stacking energy: -903.890 Base-Backbone interact. energy: -1.951 local terms energy: -901.700371 where: bonds (distance) C4'-P energy: -161.850 bonds (distance) P-C4' energy: -155.345 flat angles C4'-P-C4' energy: -188.947 flat angles P-C4'-P energy: -115.216 tors. eta vs tors. theta energy: -280.343 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: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -3023.533945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.533945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.533945 (E_RNA) where: Base-Base interactions energy: -2150.472 where: short stacking energy: -837.862 Base-Backbone interact. energy: 6.830 local terms energy: -879.891100 where: bonds (distance) C4'-P energy: -176.681 bonds (distance) P-C4' energy: -159.206 flat angles C4'-P-C4' energy: -181.025 flat angles P-C4'-P energy: -111.995 tors. eta vs tors. theta energy: -250.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -2994.445707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.445707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.445707 (E_RNA) where: Base-Base interactions energy: -2176.447 where: short stacking energy: -860.550 Base-Backbone interact. energy: 0.461 local terms energy: -818.459732 where: bonds (distance) C4'-P energy: -129.128 bonds (distance) P-C4' energy: -131.429 flat angles C4'-P-C4' energy: -176.350 flat angles P-C4'-P energy: -127.822 tors. eta vs tors. theta energy: -253.730 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: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -2766.903503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.903503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.903503 (E_RNA) where: Base-Base interactions energy: -1967.897 where: short stacking energy: -777.575 Base-Backbone interact. energy: 1.380 local terms energy: -800.386163 where: bonds (distance) C4'-P energy: -127.997 bonds (distance) P-C4' energy: -144.748 flat angles C4'-P-C4' energy: -184.880 flat angles P-C4'-P energy: -114.144 tors. eta vs tors. theta energy: -228.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3860.423210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3860.423210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3860.423210 (E_RNA) where: Base-Base interactions energy: -2811.017 where: short stacking energy: -1105.968 Base-Backbone interact. energy: -1.500 local terms energy: -1047.906646 where: bonds (distance) C4'-P energy: -167.125 bonds (distance) P-C4' energy: -192.102 flat angles C4'-P-C4' energy: -223.922 flat angles P-C4'-P energy: -144.296 tors. eta vs tors. theta energy: -320.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -3784.719173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3784.719173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3784.719173 (E_RNA) where: Base-Base interactions energy: -2763.516 where: short stacking energy: -1068.219 Base-Backbone interact. energy: -2.500 local terms energy: -1018.703250 where: bonds (distance) C4'-P energy: -171.258 bonds (distance) P-C4' energy: -179.977 flat angles C4'-P-C4' energy: -220.892 flat angles P-C4'-P energy: -139.270 tors. eta vs tors. theta energy: -307.306 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: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -3681.058540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3681.058540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3681.058540 (E_RNA) where: Base-Base interactions energy: -2692.396 where: short stacking energy: -1046.386 Base-Backbone interact. energy: 0.139 local terms energy: -988.801796 where: bonds (distance) C4'-P energy: -185.131 bonds (distance) P-C4' energy: -162.088 flat angles C4'-P-C4' energy: -199.207 flat angles P-C4'-P energy: -143.325 tors. eta vs tors. theta energy: -299.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -3631.124886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3631.124886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3631.124886 (E_RNA) where: Base-Base interactions energy: -2656.375 where: short stacking energy: -1044.378 Base-Backbone interact. energy: 0.584 local terms energy: -975.334109 where: bonds (distance) C4'-P energy: -179.431 bonds (distance) P-C4' energy: -167.138 flat angles C4'-P-C4' energy: -204.021 flat angles P-C4'-P energy: -125.598 tors. eta vs tors. theta energy: -299.145 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: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -3544.543373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3544.543373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3544.543373 (E_RNA) where: Base-Base interactions energy: -2614.430 where: short stacking energy: -1027.122 Base-Backbone interact. energy: -2.964 local terms energy: -927.149593 where: bonds (distance) C4'-P energy: -165.523 bonds (distance) P-C4' energy: -146.943 flat angles C4'-P-C4' energy: -193.117 flat angles P-C4'-P energy: -129.003 tors. eta vs tors. theta energy: -292.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -3367.722585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3367.722585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3367.722585 (E_RNA) where: Base-Base interactions energy: -2495.824 where: short stacking energy: -950.219 Base-Backbone interact. energy: -2.585 local terms energy: -869.313139 where: bonds (distance) C4'-P energy: -131.951 bonds (distance) P-C4' energy: -134.506 flat angles C4'-P-C4' energy: -200.249 flat angles P-C4'-P energy: -130.550 tors. eta vs tors. theta energy: -272.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -3250.201293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.201293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.201293 (E_RNA) where: Base-Base interactions energy: -2318.076 where: short stacking energy: -887.903 Base-Backbone interact. energy: -1.774 local terms energy: -930.351447 where: bonds (distance) C4'-P energy: -191.712 bonds (distance) P-C4' energy: -166.987 flat angles C4'-P-C4' energy: -191.252 flat angles P-C4'-P energy: -117.630 tors. eta vs tors. theta energy: -262.770 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: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -3019.783072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.783072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.783072 (E_RNA) where: Base-Base interactions energy: -2159.924 where: short stacking energy: -870.653 Base-Backbone interact. energy: -0.975 local terms energy: -858.883610 where: bonds (distance) C4'-P energy: -145.373 bonds (distance) P-C4' energy: -147.176 flat angles C4'-P-C4' energy: -191.021 flat angles P-C4'-P energy: -130.143 tors. eta vs tors. theta energy: -245.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -3011.945225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.945225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.945225 (E_RNA) where: Base-Base interactions energy: -2191.616 where: short stacking energy: -850.787 Base-Backbone interact. energy: 2.712 local terms energy: -823.041311 where: bonds (distance) C4'-P energy: -138.724 bonds (distance) P-C4' energy: -141.857 flat angles C4'-P-C4' energy: -176.918 flat angles P-C4'-P energy: -125.886 tors. eta vs tors. theta energy: -239.656 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: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -2670.081349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.081349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.081349 (E_RNA) where: Base-Base interactions energy: -1933.006 where: short stacking energy: -760.639 Base-Backbone interact. energy: 0.447 local terms energy: -737.522214 where: bonds (distance) C4'-P energy: -114.134 bonds (distance) P-C4' energy: -135.632 flat angles C4'-P-C4' energy: -176.108 flat angles P-C4'-P energy: -105.517 tors. eta vs tors. theta energy: -206.132 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: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3853.796760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3853.796760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3853.796760 (E_RNA) where: Base-Base interactions energy: -2793.703 where: short stacking energy: -1094.635 Base-Backbone interact. energy: -0.668 local terms energy: -1059.426449 where: bonds (distance) C4'-P energy: -186.724 bonds (distance) P-C4' energy: -173.803 flat angles C4'-P-C4' energy: -221.249 flat angles P-C4'-P energy: -155.356 tors. eta vs tors. theta energy: -322.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -3777.582968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.582968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.582968 (E_RNA) where: Base-Base interactions energy: -2722.336 where: short stacking energy: -1047.143 Base-Backbone interact. energy: 0.006 local terms energy: -1055.253006 where: bonds (distance) C4'-P energy: -184.100 bonds (distance) P-C4' energy: -187.252 flat angles C4'-P-C4' energy: -225.965 flat angles P-C4'-P energy: -151.671 tors. eta vs tors. theta energy: -306.265 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: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -3704.346987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3704.346987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3704.346987 (E_RNA) where: Base-Base interactions energy: -2706.804 where: short stacking energy: -1050.746 Base-Backbone interact. energy: -2.190 local terms energy: -995.353792 where: bonds (distance) C4'-P energy: -161.163 bonds (distance) P-C4' energy: -175.144 flat angles C4'-P-C4' energy: -212.863 flat angles P-C4'-P energy: -147.363 tors. eta vs tors. theta energy: -298.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -3664.188260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3664.188260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3664.188260 (E_RNA) where: Base-Base interactions energy: -2655.699 where: short stacking energy: -1029.628 Base-Backbone interact. energy: 2.217 local terms energy: -1010.705430 where: bonds (distance) C4'-P energy: -170.057 bonds (distance) P-C4' energy: -176.268 flat angles C4'-P-C4' energy: -198.666 flat angles P-C4'-P energy: -159.100 tors. eta vs tors. theta energy: -306.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -3597.867949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.867949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.867949 (E_RNA) where: Base-Base interactions energy: -2620.813 where: short stacking energy: -1009.527 Base-Backbone interact. energy: 1.617 local terms energy: -978.671698 where: bonds (distance) C4'-P energy: -166.228 bonds (distance) P-C4' energy: -187.648 flat angles C4'-P-C4' energy: -214.579 flat angles P-C4'-P energy: -118.086 tors. eta vs tors. theta energy: -292.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -3392.100545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3392.100545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3392.100545 (E_RNA) where: Base-Base interactions energy: -2455.349 where: short stacking energy: -951.622 Base-Backbone interact. energy: 3.593 local terms energy: -940.344249 where: bonds (distance) C4'-P energy: -172.286 bonds (distance) P-C4' energy: -175.515 flat angles C4'-P-C4' energy: -193.483 flat angles P-C4'-P energy: -122.517 tors. eta vs tors. theta energy: -276.543 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -3237.560275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.560275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.560275 (E_RNA) where: Base-Base interactions energy: -2347.771 where: short stacking energy: -919.855 Base-Backbone interact. energy: -0.377 local terms energy: -889.412416 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -164.240 flat angles C4'-P-C4' energy: -169.214 flat angles P-C4'-P energy: -147.194 tors. eta vs tors. theta energy: -259.649 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: 324 Temperature: 1.250000 Total energy: -3043.848610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.848610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.848610 (E_RNA) where: Base-Base interactions energy: -2218.201 where: short stacking energy: -850.493 Base-Backbone interact. energy: -0.473 local terms energy: -825.174354 where: bonds (distance) C4'-P energy: -127.030 bonds (distance) P-C4' energy: -148.499 flat angles C4'-P-C4' energy: -173.573 flat angles P-C4'-P energy: -123.253 tors. eta vs tors. theta energy: -252.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -3024.830145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.830145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.830145 (E_RNA) where: Base-Base interactions energy: -2189.528 where: short stacking energy: -853.413 Base-Backbone interact. energy: 0.855 local terms energy: -836.156463 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -140.289 flat angles C4'-P-C4' energy: -180.983 flat angles P-C4'-P energy: -130.763 tors. eta vs tors. theta energy: -245.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -2731.583613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.583613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.583613 (E_RNA) where: Base-Base interactions energy: -1987.262 where: short stacking energy: -789.335 Base-Backbone interact. energy: 4.496 local terms energy: -748.817606 where: bonds (distance) C4'-P energy: -128.744 bonds (distance) P-C4' energy: -135.622 flat angles C4'-P-C4' energy: -160.118 flat angles P-C4'-P energy: -115.078 tors. eta vs tors. theta energy: -209.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3898.394391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.394391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3898.394391 (E_RNA) where: Base-Base interactions energy: -2826.600 where: short stacking energy: -1080.216 Base-Backbone interact. energy: -2.853 local terms energy: -1068.941797 where: bonds (distance) C4'-P energy: -186.094 bonds (distance) P-C4' energy: -194.861 flat angles C4'-P-C4' energy: -226.558 flat angles P-C4'-P energy: -148.527 tors. eta vs tors. theta energy: -312.902 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: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -3792.804601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3792.804601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3792.804601 (E_RNA) where: Base-Base interactions energy: -2783.841 where: short stacking energy: -1082.088 Base-Backbone interact. energy: 0.321 local terms energy: -1009.285115 where: bonds (distance) C4'-P energy: -172.445 bonds (distance) P-C4' energy: -188.541 flat angles C4'-P-C4' energy: -205.461 flat angles P-C4'-P energy: -132.745 tors. eta vs tors. theta energy: -310.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -3688.021610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3688.021610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3688.021610 (E_RNA) where: Base-Base interactions energy: -2702.683 where: short stacking energy: -1046.474 Base-Backbone interact. energy: -1.481 local terms energy: -983.857429 where: bonds (distance) C4'-P energy: -166.995 bonds (distance) P-C4' energy: -174.018 flat angles C4'-P-C4' energy: -207.213 flat angles P-C4'-P energy: -137.040 tors. eta vs tors. theta energy: -298.592 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: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -3625.670129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.670129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.670129 (E_RNA) where: Base-Base interactions energy: -2645.810 where: short stacking energy: -1006.118 Base-Backbone interact. energy: -1.392 local terms energy: -978.468166 where: bonds (distance) C4'-P energy: -174.431 bonds (distance) P-C4' energy: -182.953 flat angles C4'-P-C4' energy: -193.598 flat angles P-C4'-P energy: -143.053 tors. eta vs tors. theta energy: -284.434 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: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -3550.958651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3550.958651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3550.958651 (E_RNA) where: Base-Base interactions energy: -2590.147 where: short stacking energy: -990.007 Base-Backbone interact. energy: -1.196 local terms energy: -959.616070 where: bonds (distance) C4'-P energy: -173.723 bonds (distance) P-C4' energy: -174.461 flat angles C4'-P-C4' energy: -191.609 flat angles P-C4'-P energy: -139.685 tors. eta vs tors. theta energy: -280.138 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: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -3410.691434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3410.691434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3410.691434 (E_RNA) where: Base-Base interactions energy: -2461.237 where: short stacking energy: -968.016 Base-Backbone interact. energy: 2.928 local terms energy: -952.383155 where: bonds (distance) C4'-P energy: -153.844 bonds (distance) P-C4' energy: -173.443 flat angles C4'-P-C4' energy: -202.853 flat angles P-C4'-P energy: -140.020 tors. eta vs tors. theta energy: -282.223 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: 325 Temperature: 1.200000 Total energy: -3272.503355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.503355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.503355 (E_RNA) where: Base-Base interactions energy: -2391.633 where: short stacking energy: -929.797 Base-Backbone interact. energy: -2.825 local terms energy: -878.045369 where: bonds (distance) C4'-P energy: -136.493 bonds (distance) P-C4' energy: -157.711 flat angles C4'-P-C4' energy: -188.510 flat angles P-C4'-P energy: -128.660 tors. eta vs tors. theta energy: -266.672 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: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -3091.838116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.838116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.838116 (E_RNA) where: Base-Base interactions energy: -2211.705 where: short stacking energy: -882.494 Base-Backbone interact. energy: -2.835 local terms energy: -877.298225 where: bonds (distance) C4'-P energy: -153.080 bonds (distance) P-C4' energy: -152.794 flat angles C4'-P-C4' energy: -186.190 flat angles P-C4'-P energy: -116.204 tors. eta vs tors. theta energy: -269.031 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: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -3002.438939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.438939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.438939 (E_RNA) where: Base-Base interactions energy: -2170.994 where: short stacking energy: -840.217 Base-Backbone interact. energy: -1.361 local terms energy: -830.083624 where: bonds (distance) C4'-P energy: -149.952 bonds (distance) P-C4' energy: -139.667 flat angles C4'-P-C4' energy: -178.072 flat angles P-C4'-P energy: -115.571 tors. eta vs tors. theta energy: -246.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -2751.424590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.424590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.424590 (E_RNA) where: Base-Base interactions energy: -1988.472 where: short stacking energy: -764.877 Base-Backbone interact. energy: -1.436 local terms energy: -761.516552 where: bonds (distance) C4'-P energy: -131.928 bonds (distance) P-C4' energy: -128.717 flat angles C4'-P-C4' energy: -171.212 flat angles P-C4'-P energy: -108.853 tors. eta vs tors. theta energy: -220.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3867.271386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3867.271386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3867.271386 (E_RNA) where: Base-Base interactions energy: -2818.231 where: short stacking energy: -1084.495 Base-Backbone interact. energy: 1.448 local terms energy: -1050.488936 where: bonds (distance) C4'-P energy: -182.167 bonds (distance) P-C4' energy: -194.712 flat angles C4'-P-C4' energy: -222.788 flat angles P-C4'-P energy: -141.201 tors. eta vs tors. theta energy: -309.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -3799.517101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3799.517101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3799.517101 (E_RNA) where: Base-Base interactions energy: -2766.163 where: short stacking energy: -1061.886 Base-Backbone interact. energy: -5.077 local terms energy: -1028.276570 where: bonds (distance) C4'-P energy: -178.551 bonds (distance) P-C4' energy: -182.938 flat angles C4'-P-C4' energy: -215.011 flat angles P-C4'-P energy: -141.131 tors. eta vs tors. theta energy: -310.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -3685.194425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3685.194425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3685.194425 (E_RNA) where: Base-Base interactions energy: -2702.614 where: short stacking energy: -1055.436 Base-Backbone interact. energy: -1.440 local terms energy: -981.139810 where: bonds (distance) C4'-P energy: -161.144 bonds (distance) P-C4' energy: -176.895 flat angles C4'-P-C4' energy: -201.414 flat angles P-C4'-P energy: -139.264 tors. eta vs tors. theta energy: -302.424 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -3656.680669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.680669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.680669 (E_RNA) where: Base-Base interactions energy: -2659.673 where: short stacking energy: -1000.816 Base-Backbone interact. energy: -0.674 local terms energy: -996.333519 where: bonds (distance) C4'-P energy: -175.527 bonds (distance) P-C4' energy: -170.650 flat angles C4'-P-C4' energy: -218.818 flat angles P-C4'-P energy: -144.279 tors. eta vs tors. theta energy: -287.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -3569.147635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3569.147635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3569.147635 (E_RNA) where: Base-Base interactions energy: -2616.561 where: short stacking energy: -1003.355 Base-Backbone interact. energy: -0.508 local terms energy: -952.078388 where: bonds (distance) C4'-P energy: -152.351 bonds (distance) P-C4' energy: -165.000 flat angles C4'-P-C4' energy: -197.579 flat angles P-C4'-P energy: -144.869 tors. eta vs tors. theta energy: -292.279 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: 8 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -3399.615484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3399.615484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3399.615484 (E_RNA) where: Base-Base interactions energy: -2492.690 where: short stacking energy: -964.640 Base-Backbone interact. energy: -0.128 local terms energy: -906.797079 where: bonds (distance) C4'-P energy: -147.276 bonds (distance) P-C4' energy: -160.436 flat angles C4'-P-C4' energy: -187.652 flat angles P-C4'-P energy: -130.624 tors. eta vs tors. theta energy: -280.810 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: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -3268.165651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.165651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.165651 (E_RNA) where: Base-Base interactions energy: -2375.905 where: short stacking energy: -925.962 Base-Backbone interact. energy: -2.064 local terms energy: -890.197114 where: bonds (distance) C4'-P energy: -172.389 bonds (distance) P-C4' energy: -149.492 flat angles C4'-P-C4' energy: -175.055 flat angles P-C4'-P energy: -117.237 tors. eta vs tors. theta energy: -276.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -3072.587695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.587695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.587695 (E_RNA) where: Base-Base interactions energy: -2228.341 where: short stacking energy: -872.421 Base-Backbone interact. energy: -0.582 local terms energy: -843.664085 where: bonds (distance) C4'-P energy: -148.246 bonds (distance) P-C4' energy: -153.830 flat angles C4'-P-C4' energy: -184.109 flat angles P-C4'-P energy: -101.066 tors. eta vs tors. theta energy: -256.412 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: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -2923.126156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.126156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.126156 (E_RNA) where: Base-Base interactions energy: -2153.888 where: short stacking energy: -831.670 Base-Backbone interact. energy: -0.629 local terms energy: -768.610024 where: bonds (distance) C4'-P energy: -110.946 bonds (distance) P-C4' energy: -143.328 flat angles C4'-P-C4' energy: -174.732 flat angles P-C4'-P energy: -109.807 tors. eta vs tors. theta energy: -229.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -2714.341782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.341782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.341782 (E_RNA) where: Base-Base interactions energy: -1956.022 where: short stacking energy: -759.142 Base-Backbone interact. energy: -0.220 local terms energy: -758.099364 where: bonds (distance) C4'-P energy: -158.618 bonds (distance) P-C4' energy: -140.099 flat angles C4'-P-C4' energy: -150.634 flat angles P-C4'-P energy: -108.969 tors. eta vs tors. theta energy: -199.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3885.170386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3885.170386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3885.170386 (E_RNA) where: Base-Base interactions energy: -2791.395 where: short stacking energy: -1081.661 Base-Backbone interact. energy: -4.407 local terms energy: -1089.369282 where: bonds (distance) C4'-P energy: -201.007 bonds (distance) P-C4' energy: -191.562 flat angles C4'-P-C4' energy: -221.394 flat angles P-C4'-P energy: -161.669 tors. eta vs tors. theta energy: -313.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -3791.564571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3791.564571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3791.564571 (E_RNA) where: Base-Base interactions energy: -2764.570 where: short stacking energy: -1053.489 Base-Backbone interact. energy: -0.539 local terms energy: -1026.455021 where: bonds (distance) C4'-P energy: -183.704 bonds (distance) P-C4' energy: -189.661 flat angles C4'-P-C4' energy: -225.564 flat angles P-C4'-P energy: -128.968 tors. eta vs tors. theta energy: -298.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -3697.554970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3697.554970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3697.554970 (E_RNA) where: Base-Base interactions energy: -2678.421 where: short stacking energy: -1026.526 Base-Backbone interact. energy: 3.218 local terms energy: -1022.351562 where: bonds (distance) C4'-P energy: -195.831 bonds (distance) P-C4' energy: -172.790 flat angles C4'-P-C4' energy: -218.811 flat angles P-C4'-P energy: -138.694 tors. eta vs tors. theta energy: -296.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -3617.097850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3617.097850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3617.097850 (E_RNA) where: Base-Base interactions energy: -2645.077 where: short stacking energy: -1017.072 Base-Backbone interact. energy: 1.340 local terms energy: -973.361474 where: bonds (distance) C4'-P energy: -162.995 bonds (distance) P-C4' energy: -173.397 flat angles C4'-P-C4' energy: -210.877 flat angles P-C4'-P energy: -136.367 tors. eta vs tors. theta energy: -289.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -3525.613971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.613971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.613971 (E_RNA) where: Base-Base interactions energy: -2558.012 where: short stacking energy: -1003.221 Base-Backbone interact. energy: 0.766 local terms energy: -968.367982 where: bonds (distance) C4'-P energy: -174.853 bonds (distance) P-C4' energy: -171.097 flat angles C4'-P-C4' energy: -191.128 flat angles P-C4'-P energy: -140.917 tors. eta vs tors. theta energy: -290.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -3379.626904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3379.626904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3379.626904 (E_RNA) where: Base-Base interactions energy: -2488.240 where: short stacking energy: -961.553 Base-Backbone interact. energy: 5.160 local terms energy: -896.547224 where: bonds (distance) C4'-P energy: -144.742 bonds (distance) P-C4' energy: -163.208 flat angles C4'-P-C4' energy: -180.604 flat angles P-C4'-P energy: -127.968 tors. eta vs tors. theta energy: -280.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -3248.055829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.055829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.055829 (E_RNA) where: Base-Base interactions energy: -2351.606 where: short stacking energy: -910.289 Base-Backbone interact. energy: -1.672 local terms energy: -894.777801 where: bonds (distance) C4'-P energy: -146.252 bonds (distance) P-C4' energy: -164.341 flat angles C4'-P-C4' energy: -196.719 flat angles P-C4'-P energy: -132.691 tors. eta vs tors. theta energy: -254.775 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: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -3085.585950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.585950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.585950 (E_RNA) where: Base-Base interactions energy: -2222.542 where: short stacking energy: -867.008 Base-Backbone interact. energy: -0.243 local terms energy: -862.800976 where: bonds (distance) C4'-P energy: -147.773 bonds (distance) P-C4' energy: -145.225 flat angles C4'-P-C4' energy: -189.482 flat angles P-C4'-P energy: -118.401 tors. eta vs tors. theta energy: -261.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -2929.593253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.593253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.593253 (E_RNA) where: Base-Base interactions energy: -2136.094 where: short stacking energy: -852.743 Base-Backbone interact. energy: 2.481 local terms energy: -795.980292 where: bonds (distance) C4'-P energy: -138.976 bonds (distance) P-C4' energy: -132.060 flat angles C4'-P-C4' energy: -174.379 flat angles P-C4'-P energy: -116.253 tors. eta vs tors. theta energy: -234.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -2659.278498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.278498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.278498 (E_RNA) where: Base-Base interactions energy: -1899.634 where: short stacking energy: -752.964 Base-Backbone interact. energy: 10.144 local terms energy: -769.789130 where: bonds (distance) C4'-P energy: -134.646 bonds (distance) P-C4' energy: -155.437 flat angles C4'-P-C4' energy: -176.866 flat angles P-C4'-P energy: -104.025 tors. eta vs tors. theta energy: -198.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3839.693287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3839.693287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3839.693287 (E_RNA) where: Base-Base interactions energy: -2778.012 where: short stacking energy: -1072.996 Base-Backbone interact. energy: -5.956 local terms energy: -1055.725667 where: bonds (distance) C4'-P energy: -184.798 bonds (distance) P-C4' energy: -185.040 flat angles C4'-P-C4' energy: -220.424 flat angles P-C4'-P energy: -158.220 tors. eta vs tors. theta energy: -307.243 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: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -3833.018504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3833.018504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3833.018504 (E_RNA) where: Base-Base interactions energy: -2790.083 where: short stacking energy: -1069.431 Base-Backbone interact. energy: 2.241 local terms energy: -1045.177395 where: bonds (distance) C4'-P energy: -186.976 bonds (distance) P-C4' energy: -192.103 flat angles C4'-P-C4' energy: -218.131 flat angles P-C4'-P energy: -138.226 tors. eta vs tors. theta energy: -309.741 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: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -3672.887653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3672.887653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3672.887653 (E_RNA) where: Base-Base interactions energy: -2677.744 where: short stacking energy: -1049.012 Base-Backbone interact. energy: -2.251 local terms energy: -992.892826 where: bonds (distance) C4'-P energy: -169.464 bonds (distance) P-C4' energy: -174.680 flat angles C4'-P-C4' energy: -202.970 flat angles P-C4'-P energy: -136.408 tors. eta vs tors. theta energy: -309.371 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: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -3620.137920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3620.137920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3620.137920 (E_RNA) where: Base-Base interactions energy: -2661.518 where: short stacking energy: -1011.695 Base-Backbone interact. energy: 0.510 local terms energy: -959.130095 where: bonds (distance) C4'-P energy: -165.516 bonds (distance) P-C4' energy: -163.456 flat angles C4'-P-C4' energy: -206.227 flat angles P-C4'-P energy: -128.835 tors. eta vs tors. theta energy: -295.096 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: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -3544.567059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3544.567059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3544.567059 (E_RNA) where: Base-Base interactions energy: -2563.083 where: short stacking energy: -972.773 Base-Backbone interact. energy: -0.468 local terms energy: -981.015424 where: bonds (distance) C4'-P energy: -169.385 bonds (distance) P-C4' energy: -177.131 flat angles C4'-P-C4' energy: -208.147 flat angles P-C4'-P energy: -136.991 tors. eta vs tors. theta energy: -289.363 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: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -3373.234907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3373.234907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3373.234907 (E_RNA) where: Base-Base interactions energy: -2480.938 where: short stacking energy: -969.716 Base-Backbone interact. energy: 2.541 local terms energy: -894.837772 where: bonds (distance) C4'-P energy: -139.926 bonds (distance) P-C4' energy: -171.392 flat angles C4'-P-C4' energy: -202.479 flat angles P-C4'-P energy: -116.659 tors. eta vs tors. theta energy: -264.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -3216.350861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.350861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.350861 (E_RNA) where: Base-Base interactions energy: -2328.461 where: short stacking energy: -908.895 Base-Backbone interact. energy: -1.256 local terms energy: -886.633842 where: bonds (distance) C4'-P energy: -153.386 bonds (distance) P-C4' energy: -161.965 flat angles C4'-P-C4' energy: -183.192 flat angles P-C4'-P energy: -127.012 tors. eta vs tors. theta energy: -261.079 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: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -3127.835144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.835144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.835144 (E_RNA) where: Base-Base interactions energy: -2224.221 where: short stacking energy: -881.705 Base-Backbone interact. energy: 1.702 local terms energy: -905.316713 where: bonds (distance) C4'-P energy: -163.847 bonds (distance) P-C4' energy: -148.764 flat angles C4'-P-C4' energy: -192.370 flat angles P-C4'-P energy: -128.223 tors. eta vs tors. theta energy: -272.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -2933.809905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.809905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.809905 (E_RNA) where: Base-Base interactions energy: -2140.111 where: short stacking energy: -834.296 Base-Backbone interact. energy: 2.381 local terms energy: -796.079836 where: bonds (distance) C4'-P energy: -143.405 bonds (distance) P-C4' energy: -133.688 flat angles C4'-P-C4' energy: -185.761 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -220.643 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: 328 Temperature: 1.350000 Total energy: -2731.261057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.261057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.261057 (E_RNA) where: Base-Base interactions energy: -1966.425 where: short stacking energy: -762.804 Base-Backbone interact. energy: -3.124 local terms energy: -761.711690 where: bonds (distance) C4'-P energy: -114.003 bonds (distance) P-C4' energy: -153.584 flat angles C4'-P-C4' energy: -184.629 flat angles P-C4'-P energy: -105.209 tors. eta vs tors. theta energy: -204.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3882.934503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3882.934503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3882.934503 (E_RNA) where: Base-Base interactions energy: -2816.095 where: short stacking energy: -1085.503 Base-Backbone interact. energy: -2.371 local terms energy: -1064.469408 where: bonds (distance) C4'-P energy: -182.552 bonds (distance) P-C4' energy: -190.959 flat angles C4'-P-C4' energy: -223.707 flat angles P-C4'-P energy: -149.900 tors. eta vs tors. theta energy: -317.351 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: 329 Temperature: 0.950000 Total energy: -3813.545402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3813.545402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3813.545402 (E_RNA) where: Base-Base interactions energy: -2784.230 where: short stacking energy: -1046.000 Base-Backbone interact. energy: -3.870 local terms energy: -1025.445498 where: bonds (distance) C4'-P energy: -174.691 bonds (distance) P-C4' energy: -176.448 flat angles C4'-P-C4' energy: -215.049 flat angles P-C4'-P energy: -150.335 tors. eta vs tors. theta energy: -308.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -3677.132670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3677.132670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3677.132670 (E_RNA) where: Base-Base interactions energy: -2657.286 where: short stacking energy: -1031.670 Base-Backbone interact. energy: -3.567 local terms energy: -1016.279782 where: bonds (distance) C4'-P energy: -168.289 bonds (distance) P-C4' energy: -170.651 flat angles C4'-P-C4' energy: -216.726 flat angles P-C4'-P energy: -153.524 tors. eta vs tors. theta energy: -307.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -3605.454461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3605.454461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3605.454461 (E_RNA) where: Base-Base interactions energy: -2616.121 where: short stacking energy: -997.335 Base-Backbone interact. energy: -1.857 local terms energy: -987.477172 where: bonds (distance) C4'-P energy: -173.288 bonds (distance) P-C4' energy: -168.173 flat angles C4'-P-C4' energy: -207.156 flat angles P-C4'-P energy: -141.402 tors. eta vs tors. theta energy: -297.459 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: 5, replica: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -3533.005928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3533.005928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3533.005928 (E_RNA) where: Base-Base interactions energy: -2606.114 where: short stacking energy: -1004.824 Base-Backbone interact. energy: 0.718 local terms energy: -927.609685 where: bonds (distance) C4'-P energy: -169.495 bonds (distance) P-C4' energy: -144.270 flat angles C4'-P-C4' energy: -191.539 flat angles P-C4'-P energy: -130.150 tors. eta vs tors. theta energy: -292.156 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: 8 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -3365.761205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3365.761205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3365.761205 (E_RNA) where: Base-Base interactions energy: -2466.030 where: short stacking energy: -955.280 Base-Backbone interact. energy: 4.461 local terms energy: -904.191705 where: bonds (distance) C4'-P energy: -150.457 bonds (distance) P-C4' energy: -158.318 flat angles C4'-P-C4' energy: -182.343 flat angles P-C4'-P energy: -135.343 tors. eta vs tors. theta energy: -277.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -3204.768863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.768863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.768863 (E_RNA) where: Base-Base interactions energy: -2320.297 where: short stacking energy: -897.337 Base-Backbone interact. energy: -1.555 local terms energy: -882.916747 where: bonds (distance) C4'-P energy: -136.407 bonds (distance) P-C4' energy: -171.020 flat angles C4'-P-C4' energy: -186.184 flat angles P-C4'-P energy: -116.791 tors. eta vs tors. theta energy: -272.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -3141.473915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.473915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.473915 (E_RNA) where: Base-Base interactions energy: -2233.730 where: short stacking energy: -876.178 Base-Backbone interact. energy: 5.276 local terms energy: -913.020149 where: bonds (distance) C4'-P energy: -145.970 bonds (distance) P-C4' energy: -175.119 flat angles C4'-P-C4' energy: -192.855 flat angles P-C4'-P energy: -142.334 tors. eta vs tors. theta energy: -256.743 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -2943.025027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.025027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.025027 (E_RNA) where: Base-Base interactions energy: -2140.339 where: short stacking energy: -842.870 Base-Backbone interact. energy: 0.707 local terms energy: -803.393099 where: bonds (distance) C4'-P energy: -120.472 bonds (distance) P-C4' energy: -158.815 flat angles C4'-P-C4' energy: -185.401 flat angles P-C4'-P energy: -109.545 tors. eta vs tors. theta energy: -229.160 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: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -2721.804478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.804478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.804478 (E_RNA) where: Base-Base interactions energy: -1979.156 where: short stacking energy: -765.531 Base-Backbone interact. energy: -1.636 local terms energy: -741.012729 where: bonds (distance) C4'-P energy: -139.157 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -169.434 flat angles P-C4'-P energy: -74.804 tors. eta vs tors. theta energy: -213.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3882.464414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3882.464414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3882.464414 (E_RNA) where: Base-Base interactions energy: -2799.077 where: short stacking energy: -1087.574 Base-Backbone interact. energy: -3.229 local terms energy: -1080.158398 where: bonds (distance) C4'-P energy: -162.631 bonds (distance) P-C4' energy: -201.709 flat angles C4'-P-C4' energy: -228.399 flat angles P-C4'-P energy: -162.249 tors. eta vs tors. theta energy: -325.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -3826.819500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3826.819500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3826.819500 (E_RNA) where: Base-Base interactions energy: -2792.015 where: short stacking energy: -1076.157 Base-Backbone interact. energy: -1.236 local terms energy: -1033.568818 where: bonds (distance) C4'-P energy: -188.395 bonds (distance) P-C4' energy: -185.345 flat angles C4'-P-C4' energy: -223.383 flat angles P-C4'-P energy: -130.468 tors. eta vs tors. theta energy: -305.978 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: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -3663.192235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3663.192235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3663.192235 (E_RNA) where: Base-Base interactions energy: -2674.269 where: short stacking energy: -1029.282 Base-Backbone interact. energy: 2.132 local terms energy: -991.054804 where: bonds (distance) C4'-P energy: -154.490 bonds (distance) P-C4' energy: -168.922 flat angles C4'-P-C4' energy: -215.527 flat angles P-C4'-P energy: -146.654 tors. eta vs tors. theta energy: -305.462 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: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -3637.696787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3637.696787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3637.696787 (E_RNA) where: Base-Base interactions energy: -2650.558 where: short stacking energy: -1006.929 Base-Backbone interact. energy: -2.275 local terms energy: -984.864068 where: bonds (distance) C4'-P energy: -163.771 bonds (distance) P-C4' energy: -173.251 flat angles C4'-P-C4' energy: -212.668 flat angles P-C4'-P energy: -139.592 tors. eta vs tors. theta energy: -295.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -3588.919353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3588.919353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3588.919353 (E_RNA) where: Base-Base interactions energy: -2617.959 where: short stacking energy: -1010.732 Base-Backbone interact. energy: -2.534 local terms energy: -968.426322 where: bonds (distance) C4'-P energy: -169.688 bonds (distance) P-C4' energy: -183.234 flat angles C4'-P-C4' energy: -194.349 flat angles P-C4'-P energy: -125.910 tors. eta vs tors. theta energy: -295.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -3435.533407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.533407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.533407 (E_RNA) where: Base-Base interactions energy: -2516.485 where: short stacking energy: -977.396 Base-Backbone interact. energy: 6.397 local terms energy: -925.445350 where: bonds (distance) C4'-P energy: -160.566 bonds (distance) P-C4' energy: -148.874 flat angles C4'-P-C4' energy: -196.484 flat angles P-C4'-P energy: -132.189 tors. eta vs tors. theta energy: -287.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -3165.348675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.348675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.348675 (E_RNA) where: Base-Base interactions energy: -2288.490 where: short stacking energy: -894.532 Base-Backbone interact. energy: -0.269 local terms energy: -876.590083 where: bonds (distance) C4'-P energy: -151.098 bonds (distance) P-C4' energy: -155.844 flat angles C4'-P-C4' energy: -173.424 flat angles P-C4'-P energy: -130.774 tors. eta vs tors. theta energy: -265.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -3110.912712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.912712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.912712 (E_RNA) where: Base-Base interactions energy: -2236.159 where: short stacking energy: -888.829 Base-Backbone interact. energy: 0.143 local terms energy: -874.896240 where: bonds (distance) C4'-P energy: -145.633 bonds (distance) P-C4' energy: -168.789 flat angles C4'-P-C4' energy: -196.517 flat angles P-C4'-P energy: -118.481 tors. eta vs tors. theta energy: -245.477 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: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -2965.363852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.363852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.363852 (E_RNA) where: Base-Base interactions energy: -2155.253 where: short stacking energy: -827.048 Base-Backbone interact. energy: 0.104 local terms energy: -810.215036 where: bonds (distance) C4'-P energy: -145.286 bonds (distance) P-C4' energy: -147.940 flat angles C4'-P-C4' energy: -156.291 flat angles P-C4'-P energy: -114.083 tors. eta vs tors. theta energy: -246.616 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: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -2857.337218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.337218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.337218 (E_RNA) where: Base-Base interactions energy: -2082.062 where: short stacking energy: -802.691 Base-Backbone interact. energy: -1.808 local terms energy: -773.466931 where: bonds (distance) C4'-P energy: -138.934 bonds (distance) P-C4' energy: -149.434 flat angles C4'-P-C4' energy: -158.656 flat angles P-C4'-P energy: -97.834 tors. eta vs tors. theta energy: -228.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3876.974228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3876.974228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3876.974228 (E_RNA) where: Base-Base interactions energy: -2807.936 where: short stacking energy: -1106.474 Base-Backbone interact. energy: -0.911 local terms energy: -1068.126643 where: bonds (distance) C4'-P energy: -173.019 bonds (distance) P-C4' energy: -195.686 flat angles C4'-P-C4' energy: -223.455 flat angles P-C4'-P energy: -162.564 tors. eta vs tors. theta energy: -313.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -3823.671759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.671759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.671759 (E_RNA) where: Base-Base interactions energy: -2814.794 where: short stacking energy: -1080.873 Base-Backbone interact. energy: 0.501 local terms energy: -1009.379570 where: bonds (distance) C4'-P energy: -170.002 bonds (distance) P-C4' energy: -181.242 flat angles C4'-P-C4' energy: -218.352 flat angles P-C4'-P energy: -136.093 tors. eta vs tors. theta energy: -303.691 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: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -3671.318320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3671.318320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3671.318320 (E_RNA) where: Base-Base interactions energy: -2654.147 where: short stacking energy: -1023.037 Base-Backbone interact. energy: -0.742 local terms energy: -1016.429142 where: bonds (distance) C4'-P energy: -186.852 bonds (distance) P-C4' energy: -177.227 flat angles C4'-P-C4' energy: -214.194 flat angles P-C4'-P energy: -136.991 tors. eta vs tors. theta energy: -301.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -3623.867575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3623.867575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3623.867575 (E_RNA) where: Base-Base interactions energy: -2632.309 where: short stacking energy: -1001.370 Base-Backbone interact. energy: -0.104 local terms energy: -991.453906 where: bonds (distance) C4'-P energy: -183.893 bonds (distance) P-C4' energy: -164.284 flat angles C4'-P-C4' energy: -205.708 flat angles P-C4'-P energy: -145.326 tors. eta vs tors. theta energy: -292.244 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: 3 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -3535.679733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3535.679733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3535.679733 (E_RNA) where: Base-Base interactions energy: -2595.127 where: short stacking energy: -1023.315 Base-Backbone interact. energy: -3.851 local terms energy: -936.701559 where: bonds (distance) C4'-P energy: -158.052 bonds (distance) P-C4' energy: -153.068 flat angles C4'-P-C4' energy: -200.468 flat angles P-C4'-P energy: -128.463 tors. eta vs tors. theta energy: -296.651 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: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -3386.839402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3386.839402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3386.839402 (E_RNA) where: Base-Base interactions energy: -2474.310 where: short stacking energy: -929.335 Base-Backbone interact. energy: -0.000 local terms energy: -912.529396 where: bonds (distance) C4'-P energy: -142.048 bonds (distance) P-C4' energy: -145.251 flat angles C4'-P-C4' energy: -205.802 flat angles P-C4'-P energy: -140.452 tors. eta vs tors. theta energy: -278.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -3113.631065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.631065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.631065 (E_RNA) where: Base-Base interactions energy: -2224.038 where: short stacking energy: -897.636 Base-Backbone interact. energy: -2.347 local terms energy: -887.245995 where: bonds (distance) C4'-P energy: -146.842 bonds (distance) P-C4' energy: -156.728 flat angles C4'-P-C4' energy: -201.031 flat angles P-C4'-P energy: -124.802 tors. eta vs tors. theta energy: -257.843 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: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -3144.498559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.498559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.498559 (E_RNA) where: Base-Base interactions energy: -2267.772 where: short stacking energy: -872.495 Base-Backbone interact. energy: -1.421 local terms energy: -875.306203 where: bonds (distance) C4'-P energy: -147.729 bonds (distance) P-C4' energy: -158.294 flat angles C4'-P-C4' energy: -188.575 flat angles P-C4'-P energy: -121.767 tors. eta vs tors. theta energy: -258.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -2992.910667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.910667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.910667 (E_RNA) where: Base-Base interactions energy: -2157.221 where: short stacking energy: -835.242 Base-Backbone interact. energy: -2.451 local terms energy: -833.238290 where: bonds (distance) C4'-P energy: -145.977 bonds (distance) P-C4' energy: -156.479 flat angles C4'-P-C4' energy: -162.320 flat angles P-C4'-P energy: -119.056 tors. eta vs tors. theta energy: -249.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -2772.156594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.156594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.156594 (E_RNA) where: Base-Base interactions energy: -1989.394 where: short stacking energy: -792.255 Base-Backbone interact. energy: 4.667 local terms energy: -787.429918 where: bonds (distance) C4'-P energy: -143.387 bonds (distance) P-C4' energy: -155.395 flat angles C4'-P-C4' energy: -153.933 flat angles P-C4'-P energy: -113.097 tors. eta vs tors. theta energy: -221.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3865.803376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3865.803376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3865.803376 (E_RNA) where: Base-Base interactions energy: -2813.536 where: short stacking energy: -1084.151 Base-Backbone interact. energy: -1.013 local terms energy: -1051.254768 where: bonds (distance) C4'-P energy: -182.171 bonds (distance) P-C4' energy: -173.467 flat angles C4'-P-C4' energy: -220.013 flat angles P-C4'-P energy: -164.161 tors. eta vs tors. theta energy: -311.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -3756.429109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.429109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.429109 (E_RNA) where: Base-Base interactions energy: -2743.230 where: short stacking energy: -1058.937 Base-Backbone interact. energy: -2.520 local terms energy: -1010.679089 where: bonds (distance) C4'-P energy: -155.448 bonds (distance) P-C4' energy: -173.922 flat angles C4'-P-C4' energy: -226.252 flat angles P-C4'-P energy: -142.860 tors. eta vs tors. theta energy: -312.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -3688.828519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3688.828519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3688.828519 (E_RNA) where: Base-Base interactions energy: -2695.622 where: short stacking energy: -1067.666 Base-Backbone interact. energy: 3.080 local terms energy: -996.287125 where: bonds (distance) C4'-P energy: -195.840 bonds (distance) P-C4' energy: -156.442 flat angles C4'-P-C4' energy: -210.781 flat angles P-C4'-P energy: -134.316 tors. eta vs tors. theta energy: -298.908 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: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -3614.753388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.753388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.753388 (E_RNA) where: Base-Base interactions energy: -2628.040 where: short stacking energy: -1007.245 Base-Backbone interact. energy: -0.458 local terms energy: -986.255821 where: bonds (distance) C4'-P energy: -177.782 bonds (distance) P-C4' energy: -162.254 flat angles C4'-P-C4' energy: -207.054 flat angles P-C4'-P energy: -136.340 tors. eta vs tors. theta energy: -302.826 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: 5, replica: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -3567.296813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3567.296813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3567.296813 (E_RNA) where: Base-Base interactions energy: -2612.756 where: short stacking energy: -1010.665 Base-Backbone interact. energy: -2.112 local terms energy: -952.428652 where: bonds (distance) C4'-P energy: -150.814 bonds (distance) P-C4' energy: -159.372 flat angles C4'-P-C4' energy: -204.959 flat angles P-C4'-P energy: -140.890 tors. eta vs tors. theta energy: -296.393 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: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -3472.369686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.369686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.369686 (E_RNA) where: Base-Base interactions energy: -2573.694 where: short stacking energy: -983.247 Base-Backbone interact. energy: -2.415 local terms energy: -896.260819 where: bonds (distance) C4'-P energy: -137.089 bonds (distance) P-C4' energy: -149.484 flat angles C4'-P-C4' energy: -198.150 flat angles P-C4'-P energy: -120.800 tors. eta vs tors. theta energy: -290.737 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: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -3242.698780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.698780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.698780 (E_RNA) where: Base-Base interactions energy: -2358.712 where: short stacking energy: -903.869 Base-Backbone interact. energy: -1.901 local terms energy: -882.086162 where: bonds (distance) C4'-P energy: -165.196 bonds (distance) P-C4' energy: -137.624 flat angles C4'-P-C4' energy: -193.805 flat angles P-C4'-P energy: -121.270 tors. eta vs tors. theta energy: -264.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -3148.693047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.693047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.693047 (E_RNA) where: Base-Base interactions energy: -2277.828 where: short stacking energy: -870.011 Base-Backbone interact. energy: 1.119 local terms energy: -871.983475 where: bonds (distance) C4'-P energy: -145.152 bonds (distance) P-C4' energy: -169.839 flat angles C4'-P-C4' energy: -187.436 flat angles P-C4'-P energy: -112.607 tors. eta vs tors. theta energy: -256.949 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: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -2951.640280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.640280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.640280 (E_RNA) where: Base-Base interactions energy: -2154.983 where: short stacking energy: -831.173 Base-Backbone interact. energy: -2.446 local terms energy: -794.211268 where: bonds (distance) C4'-P energy: -125.264 bonds (distance) P-C4' energy: -135.816 flat angles C4'-P-C4' energy: -171.924 flat angles P-C4'-P energy: -120.084 tors. eta vs tors. theta energy: -241.123 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: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -2785.085804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.085804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.085804 (E_RNA) where: Base-Base interactions energy: -2016.858 where: short stacking energy: -768.163 Base-Backbone interact. energy: 0.886 local terms energy: -769.113183 where: bonds (distance) C4'-P energy: -136.430 bonds (distance) P-C4' energy: -161.168 flat angles C4'-P-C4' energy: -157.480 flat angles P-C4'-P energy: -95.751 tors. eta vs tors. theta energy: -218.283 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: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3844.943135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3844.943135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3844.943135 (E_RNA) where: Base-Base interactions energy: -2786.731 where: short stacking energy: -1063.221 Base-Backbone interact. energy: -2.554 local terms energy: -1055.658492 where: bonds (distance) C4'-P energy: -188.682 bonds (distance) P-C4' energy: -201.051 flat angles C4'-P-C4' energy: -217.675 flat angles P-C4'-P energy: -144.224 tors. eta vs tors. theta energy: -304.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -3785.651288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3785.651288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3785.651288 (E_RNA) where: Base-Base interactions energy: -2761.679 where: short stacking energy: -1084.291 Base-Backbone interact. energy: -3.920 local terms energy: -1020.052591 where: bonds (distance) C4'-P energy: -180.623 bonds (distance) P-C4' energy: -168.244 flat angles C4'-P-C4' energy: -215.230 flat angles P-C4'-P energy: -140.222 tors. eta vs tors. theta energy: -315.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -3676.446244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.446244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.446244 (E_RNA) where: Base-Base interactions energy: -2675.359 where: short stacking energy: -1042.283 Base-Backbone interact. energy: 0.483 local terms energy: -1001.570348 where: bonds (distance) C4'-P energy: -179.995 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -206.685 flat angles P-C4'-P energy: -147.528 tors. eta vs tors. theta energy: -308.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -3623.848175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3623.848175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3623.848175 (E_RNA) where: Base-Base interactions energy: -2643.457 where: short stacking energy: -1006.486 Base-Backbone interact. energy: -1.784 local terms energy: -978.607071 where: bonds (distance) C4'-P energy: -156.714 bonds (distance) P-C4' energy: -177.512 flat angles C4'-P-C4' energy: -213.531 flat angles P-C4'-P energy: -153.416 tors. eta vs tors. theta energy: -277.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -3562.309996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3562.309996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3562.309996 (E_RNA) where: Base-Base interactions energy: -2637.666 where: short stacking energy: -1009.071 Base-Backbone interact. energy: -1.281 local terms energy: -923.363731 where: bonds (distance) C4'-P energy: -157.717 bonds (distance) P-C4' energy: -153.357 flat angles C4'-P-C4' energy: -185.335 flat angles P-C4'-P energy: -130.065 tors. eta vs tors. theta energy: -296.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -3380.563469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3380.563469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3380.563469 (E_RNA) where: Base-Base interactions energy: -2454.604 where: short stacking energy: -948.682 Base-Backbone interact. energy: 4.887 local terms energy: -930.847007 where: bonds (distance) C4'-P energy: -163.922 bonds (distance) P-C4' energy: -159.649 flat angles C4'-P-C4' energy: -187.084 flat angles P-C4'-P energy: -138.146 tors. eta vs tors. theta energy: -282.047 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: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -3284.887002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.887002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.887002 (E_RNA) where: Base-Base interactions energy: -2405.717 where: short stacking energy: -931.559 Base-Backbone interact. energy: -0.876 local terms energy: -878.293454 where: bonds (distance) C4'-P energy: -132.886 bonds (distance) P-C4' energy: -162.143 flat angles C4'-P-C4' energy: -189.261 flat angles P-C4'-P energy: -125.535 tors. eta vs tors. theta energy: -268.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -3102.702728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.702728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.702728 (E_RNA) where: Base-Base interactions energy: -2262.187 where: short stacking energy: -898.860 Base-Backbone interact. energy: 4.037 local terms energy: -844.552340 where: bonds (distance) C4'-P energy: -111.803 bonds (distance) P-C4' energy: -149.298 flat angles C4'-P-C4' energy: -189.457 flat angles P-C4'-P energy: -111.044 tors. eta vs tors. theta energy: -282.951 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: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -2963.605618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.605618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.605618 (E_RNA) where: Base-Base interactions energy: -2148.248 where: short stacking energy: -850.623 Base-Backbone interact. energy: 4.221 local terms energy: -819.579545 where: bonds (distance) C4'-P energy: -149.878 bonds (distance) P-C4' energy: -130.146 flat angles C4'-P-C4' energy: -187.214 flat angles P-C4'-P energy: -115.496 tors. eta vs tors. theta energy: -236.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -2748.848768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.848768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.848768 (E_RNA) where: Base-Base interactions energy: -1943.203 where: short stacking energy: -774.813 Base-Backbone interact. energy: 4.215 local terms energy: -809.860270 where: bonds (distance) C4'-P energy: -156.669 bonds (distance) P-C4' energy: -145.687 flat angles C4'-P-C4' energy: -170.293 flat angles P-C4'-P energy: -125.582 tors. eta vs tors. theta energy: -211.628 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: 334 Temperature: 0.900000 Total energy: -3844.835962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3844.835962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3844.835962 (E_RNA) where: Base-Base interactions energy: -2785.536 where: short stacking energy: -1092.656 Base-Backbone interact. energy: -4.787 local terms energy: -1054.513210 where: bonds (distance) C4'-P energy: -190.232 bonds (distance) P-C4' energy: -178.435 flat angles C4'-P-C4' energy: -217.981 flat angles P-C4'-P energy: -155.727 tors. eta vs tors. theta energy: -312.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -3745.535568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3745.535568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3745.535568 (E_RNA) where: Base-Base interactions energy: -2727.030 where: short stacking energy: -1061.653 Base-Backbone interact. energy: 0.981 local terms energy: -1019.486563 where: bonds (distance) C4'-P energy: -167.361 bonds (distance) P-C4' energy: -189.172 flat angles C4'-P-C4' energy: -200.471 flat angles P-C4'-P energy: -150.733 tors. eta vs tors. theta energy: -311.750 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: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -3650.416454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.416454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.416454 (E_RNA) where: Base-Base interactions energy: -2643.073 where: short stacking energy: -1036.129 Base-Backbone interact. energy: -2.079 local terms energy: -1005.265141 where: bonds (distance) C4'-P energy: -177.102 bonds (distance) P-C4' energy: -187.134 flat angles C4'-P-C4' energy: -204.342 flat angles P-C4'-P energy: -142.316 tors. eta vs tors. theta energy: -294.371 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: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -3627.204756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3627.204756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3627.204756 (E_RNA) where: Base-Base interactions energy: -2667.560 where: short stacking energy: -1005.320 Base-Backbone interact. energy: 2.585 local terms energy: -962.230130 where: bonds (distance) C4'-P energy: -155.624 bonds (distance) P-C4' energy: -173.609 flat angles C4'-P-C4' energy: -202.439 flat angles P-C4'-P energy: -137.684 tors. eta vs tors. theta energy: -292.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -3576.762341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3576.762341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3576.762341 (E_RNA) where: Base-Base interactions energy: -2637.075 where: short stacking energy: -1009.192 Base-Backbone interact. energy: 1.489 local terms energy: -941.176247 where: bonds (distance) C4'-P energy: -150.159 bonds (distance) P-C4' energy: -160.226 flat angles C4'-P-C4' energy: -186.848 flat angles P-C4'-P energy: -135.207 tors. eta vs tors. theta energy: -308.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -3396.658659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.658659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.658659 (E_RNA) where: Base-Base interactions energy: -2456.974 where: short stacking energy: -964.363 Base-Backbone interact. energy: 0.856 local terms energy: -940.540884 where: bonds (distance) C4'-P energy: -166.343 bonds (distance) P-C4' energy: -152.436 flat angles C4'-P-C4' energy: -213.479 flat angles P-C4'-P energy: -131.472 tors. eta vs tors. theta energy: -276.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -3285.080851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.080851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.080851 (E_RNA) where: Base-Base interactions energy: -2363.376 where: short stacking energy: -915.769 Base-Backbone interact. energy: -3.308 local terms energy: -918.396944 where: bonds (distance) C4'-P energy: -161.143 bonds (distance) P-C4' energy: -144.563 flat angles C4'-P-C4' energy: -208.839 flat angles P-C4'-P energy: -134.949 tors. eta vs tors. theta energy: -268.905 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: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -3109.381110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.381110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.381110 (E_RNA) where: Base-Base interactions energy: -2234.999 where: short stacking energy: -879.663 Base-Backbone interact. energy: 0.534 local terms energy: -874.915607 where: bonds (distance) C4'-P energy: -154.196 bonds (distance) P-C4' energy: -156.925 flat angles C4'-P-C4' energy: -188.967 flat angles P-C4'-P energy: -112.036 tors. eta vs tors. theta energy: -262.791 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: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -2916.452302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.452302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.452302 (E_RNA) where: Base-Base interactions energy: -2099.767 where: short stacking energy: -809.628 Base-Backbone interact. energy: -1.670 local terms energy: -815.015012 where: bonds (distance) C4'-P energy: -137.464 bonds (distance) P-C4' energy: -152.180 flat angles C4'-P-C4' energy: -176.601 flat angles P-C4'-P energy: -109.496 tors. eta vs tors. theta energy: -239.275 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: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -2700.815193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.815193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.815193 (E_RNA) where: Base-Base interactions energy: -1953.986 where: short stacking energy: -770.312 Base-Backbone interact. energy: -1.537 local terms energy: -745.292317 where: bonds (distance) C4'-P energy: -125.149 bonds (distance) P-C4' energy: -135.337 flat angles C4'-P-C4' energy: -184.082 flat angles P-C4'-P energy: -97.421 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: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3852.732317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3852.732317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3852.732317 (E_RNA) where: Base-Base interactions energy: -2802.712 where: short stacking energy: -1083.194 Base-Backbone interact. energy: -2.156 local terms energy: -1047.864326 where: bonds (distance) C4'-P energy: -172.974 bonds (distance) P-C4' energy: -181.107 flat angles C4'-P-C4' energy: -222.239 flat angles P-C4'-P energy: -151.852 tors. eta vs tors. theta energy: -319.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -3778.830549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3778.830549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3778.830549 (E_RNA) where: Base-Base interactions energy: -2758.006 where: short stacking energy: -1059.182 Base-Backbone interact. energy: -2.939 local terms energy: -1017.885633 where: bonds (distance) C4'-P energy: -170.633 bonds (distance) P-C4' energy: -181.443 flat angles C4'-P-C4' energy: -210.734 flat angles P-C4'-P energy: -149.868 tors. eta vs tors. theta energy: -305.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -3646.590020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3646.590020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3646.590020 (E_RNA) where: Base-Base interactions energy: -2658.640 where: short stacking energy: -1034.386 Base-Backbone interact. energy: 1.763 local terms energy: -989.712954 where: bonds (distance) C4'-P energy: -161.301 bonds (distance) P-C4' energy: -169.940 flat angles C4'-P-C4' energy: -206.374 flat angles P-C4'-P energy: -151.809 tors. eta vs tors. theta energy: -300.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -3635.737082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3635.737082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3635.737082 (E_RNA) where: Base-Base interactions energy: -2670.127 where: short stacking energy: -1019.992 Base-Backbone interact. energy: 5.985 local terms energy: -971.594553 where: bonds (distance) C4'-P energy: -162.548 bonds (distance) P-C4' energy: -168.202 flat angles C4'-P-C4' energy: -205.527 flat angles P-C4'-P energy: -136.613 tors. eta vs tors. theta energy: -298.704 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: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -3597.578264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.578264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.578264 (E_RNA) where: Base-Base interactions energy: -2632.111 where: short stacking energy: -999.277 Base-Backbone interact. energy: -0.812 local terms energy: -964.655330 where: bonds (distance) C4'-P energy: -160.510 bonds (distance) P-C4' energy: -163.413 flat angles C4'-P-C4' energy: -204.027 flat angles P-C4'-P energy: -143.331 tors. eta vs tors. theta energy: -293.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -3324.667320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.667320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.667320 (E_RNA) where: Base-Base interactions energy: -2390.524 where: short stacking energy: -924.575 Base-Backbone interact. energy: -1.146 local terms energy: -932.997372 where: bonds (distance) C4'-P energy: -162.241 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -202.354 flat angles P-C4'-P energy: -152.228 tors. eta vs tors. theta energy: -269.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -3298.950206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.950206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.950206 (E_RNA) where: Base-Base interactions energy: -2391.872 where: short stacking energy: -913.112 Base-Backbone interact. energy: -1.571 local terms energy: -905.507722 where: bonds (distance) C4'-P energy: -153.920 bonds (distance) P-C4' energy: -153.566 flat angles C4'-P-C4' energy: -200.352 flat angles P-C4'-P energy: -125.960 tors. eta vs tors. theta energy: -271.709 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: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -3168.032727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.032727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.032727 (E_RNA) where: Base-Base interactions energy: -2306.725 where: short stacking energy: -903.415 Base-Backbone interact. energy: 6.045 local terms energy: -867.352993 where: bonds (distance) C4'-P energy: -147.466 bonds (distance) P-C4' energy: -122.790 flat angles C4'-P-C4' energy: -203.764 flat angles P-C4'-P energy: -120.973 tors. eta vs tors. theta energy: -272.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -2994.661049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.661049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.661049 (E_RNA) where: Base-Base interactions energy: -2181.010 where: short stacking energy: -860.422 Base-Backbone interact. energy: -1.700 local terms energy: -811.950677 where: bonds (distance) C4'-P energy: -127.436 bonds (distance) P-C4' energy: -144.529 flat angles C4'-P-C4' energy: -186.271 flat angles P-C4'-P energy: -118.667 tors. eta vs tors. theta energy: -235.046 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: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -2697.900128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.900128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.900128 (E_RNA) where: Base-Base interactions energy: -1920.555 where: short stacking energy: -748.458 Base-Backbone interact. energy: 0.102 local terms energy: -777.446760 where: bonds (distance) C4'-P energy: -153.415 bonds (distance) P-C4' energy: -139.318 flat angles C4'-P-C4' energy: -178.345 flat angles P-C4'-P energy: -101.021 tors. eta vs tors. theta energy: -205.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3837.221167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3837.221167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3837.221167 (E_RNA) where: Base-Base interactions energy: -2761.699 where: short stacking energy: -1076.441 Base-Backbone interact. energy: -0.789 local terms energy: -1074.733544 where: bonds (distance) C4'-P energy: -196.113 bonds (distance) P-C4' energy: -193.888 flat angles C4'-P-C4' energy: -208.205 flat angles P-C4'-P energy: -170.110 tors. eta vs tors. theta energy: -306.417 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: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -3798.755242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3798.755242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3798.755242 (E_RNA) where: Base-Base interactions energy: -2755.242 where: short stacking energy: -1075.274 Base-Backbone interact. energy: -1.440 local terms energy: -1042.073983 where: bonds (distance) C4'-P energy: -175.733 bonds (distance) P-C4' energy: -190.762 flat angles C4'-P-C4' energy: -212.156 flat angles P-C4'-P energy: -148.853 tors. eta vs tors. theta energy: -314.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -3661.222269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3661.222269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3661.222269 (E_RNA) where: Base-Base interactions energy: -2661.682 where: short stacking energy: -1025.452 Base-Backbone interact. energy: 0.741 local terms energy: -1000.281465 where: bonds (distance) C4'-P energy: -168.832 bonds (distance) P-C4' energy: -171.228 flat angles C4'-P-C4' energy: -220.725 flat angles P-C4'-P energy: -143.783 tors. eta vs tors. theta energy: -295.713 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: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -3634.631245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3634.631245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3634.631245 (E_RNA) where: Base-Base interactions energy: -2645.125 where: short stacking energy: -1026.594 Base-Backbone interact. energy: 2.841 local terms energy: -992.347361 where: bonds (distance) C4'-P energy: -154.213 bonds (distance) P-C4' energy: -172.348 flat angles C4'-P-C4' energy: -215.898 flat angles P-C4'-P energy: -143.592 tors. eta vs tors. theta energy: -306.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -3587.720338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3587.720338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3587.720338 (E_RNA) where: Base-Base interactions energy: -2640.471 where: short stacking energy: -1013.431 Base-Backbone interact. energy: 2.958 local terms energy: -950.207723 where: bonds (distance) C4'-P energy: -153.520 bonds (distance) P-C4' energy: -186.879 flat angles C4'-P-C4' energy: -190.159 flat angles P-C4'-P energy: -137.964 tors. eta vs tors. theta energy: -281.686 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: 6, replica: 8 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -3331.801135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3331.801135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3331.801135 (E_RNA) where: Base-Base interactions energy: -2445.919 where: short stacking energy: -941.536 Base-Backbone interact. energy: -1.459 local terms energy: -884.423278 where: bonds (distance) C4'-P energy: -152.177 bonds (distance) P-C4' energy: -142.952 flat angles C4'-P-C4' energy: -182.512 flat angles P-C4'-P energy: -130.162 tors. eta vs tors. theta energy: -276.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -3213.473730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.473730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.473730 (E_RNA) where: Base-Base interactions energy: -2324.087 where: short stacking energy: -903.004 Base-Backbone interact. energy: -3.649 local terms energy: -885.737593 where: bonds (distance) C4'-P energy: -163.598 bonds (distance) P-C4' energy: -165.263 flat angles C4'-P-C4' energy: -177.518 flat angles P-C4'-P energy: -125.351 tors. eta vs tors. theta energy: -254.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -3147.882873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.882873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.882873 (E_RNA) where: Base-Base interactions energy: -2304.532 where: short stacking energy: -902.963 Base-Backbone interact. energy: -1.777 local terms energy: -841.574169 where: bonds (distance) C4'-P energy: -136.231 bonds (distance) P-C4' energy: -140.153 flat angles C4'-P-C4' energy: -184.319 flat angles P-C4'-P energy: -109.034 tors. eta vs tors. theta energy: -271.837 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: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -2984.442527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.442527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.442527 (E_RNA) where: Base-Base interactions energy: -2133.143 where: short stacking energy: -847.821 Base-Backbone interact. energy: 0.166 local terms energy: -851.464812 where: bonds (distance) C4'-P energy: -143.031 bonds (distance) P-C4' energy: -180.460 flat angles C4'-P-C4' energy: -175.721 flat angles P-C4'-P energy: -104.882 tors. eta vs tors. theta energy: -247.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -2748.683888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.683888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.683888 (E_RNA) where: Base-Base interactions energy: -2013.554 where: short stacking energy: -780.956 Base-Backbone interact. energy: 4.001 local terms energy: -739.131404 where: bonds (distance) C4'-P energy: -140.332 bonds (distance) P-C4' energy: -129.399 flat angles C4'-P-C4' energy: -154.650 flat angles P-C4'-P energy: -98.770 tors. eta vs tors. theta energy: -215.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3879.583568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3879.583568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3879.583568 (E_RNA) where: Base-Base interactions energy: -2821.255 where: short stacking energy: -1101.798 Base-Backbone interact. energy: 0.593 local terms energy: -1058.921231 where: bonds (distance) C4'-P energy: -188.564 bonds (distance) P-C4' energy: -187.483 flat angles C4'-P-C4' energy: -230.132 flat angles P-C4'-P energy: -142.236 tors. eta vs tors. theta energy: -310.506 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: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -3843.066104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3843.066104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3843.066104 (E_RNA) where: Base-Base interactions energy: -2781.279 where: short stacking energy: -1069.815 Base-Backbone interact. energy: -1.500 local terms energy: -1060.286587 where: bonds (distance) C4'-P energy: -187.228 bonds (distance) P-C4' energy: -176.095 flat angles C4'-P-C4' energy: -224.226 flat angles P-C4'-P energy: -157.503 tors. eta vs tors. theta energy: -315.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -3654.515108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3654.515108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3654.515108 (E_RNA) where: Base-Base interactions energy: -2648.557 where: short stacking energy: -1028.665 Base-Backbone interact. energy: -0.849 local terms energy: -1005.108600 where: bonds (distance) C4'-P energy: -160.430 bonds (distance) P-C4' energy: -173.431 flat angles C4'-P-C4' energy: -213.053 flat angles P-C4'-P energy: -144.953 tors. eta vs tors. theta energy: -313.241 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: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -3650.073250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.073250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.073250 (E_RNA) where: Base-Base interactions energy: -2659.728 where: short stacking energy: -1035.187 Base-Backbone interact. energy: 6.850 local terms energy: -997.195171 where: bonds (distance) C4'-P energy: -163.724 bonds (distance) P-C4' energy: -184.019 flat angles C4'-P-C4' energy: -211.882 flat angles P-C4'-P energy: -132.823 tors. eta vs tors. theta energy: -304.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -3594.877385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3594.877385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3594.877385 (E_RNA) where: Base-Base interactions energy: -2639.078 where: short stacking energy: -1004.013 Base-Backbone interact. energy: 1.867 local terms energy: -957.665744 where: bonds (distance) C4'-P energy: -171.284 bonds (distance) P-C4' energy: -163.684 flat angles C4'-P-C4' energy: -199.824 flat angles P-C4'-P energy: -142.834 tors. eta vs tors. theta energy: -280.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -3369.006000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.006000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.006000 (E_RNA) where: Base-Base interactions energy: -2451.621 where: short stacking energy: -952.986 Base-Backbone interact. energy: 2.838 local terms energy: -920.222976 where: bonds (distance) C4'-P energy: -158.507 bonds (distance) P-C4' energy: -156.383 flat angles C4'-P-C4' energy: -192.292 flat angles P-C4'-P energy: -133.483 tors. eta vs tors. theta energy: -279.558 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: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -3261.624366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.624366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.624366 (E_RNA) where: Base-Base interactions energy: -2353.715 where: short stacking energy: -907.821 Base-Backbone interact. energy: -1.053 local terms energy: -906.855971 where: bonds (distance) C4'-P energy: -171.686 bonds (distance) P-C4' energy: -142.198 flat angles C4'-P-C4' energy: -201.501 flat angles P-C4'-P energy: -122.950 tors. eta vs tors. theta energy: -268.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -3117.554439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.554439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.554439 (E_RNA) where: Base-Base interactions energy: -2241.510 where: short stacking energy: -868.020 Base-Backbone interact. energy: 0.532 local terms energy: -876.576964 where: bonds (distance) C4'-P energy: -164.644 bonds (distance) P-C4' energy: -132.660 flat angles C4'-P-C4' energy: -190.067 flat angles P-C4'-P energy: -126.461 tors. eta vs tors. theta energy: -262.746 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: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -3136.961956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.961956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.961956 (E_RNA) where: Base-Base interactions energy: -2287.803 where: short stacking energy: -856.055 Base-Backbone interact. energy: -0.139 local terms energy: -849.019933 where: bonds (distance) C4'-P energy: -146.616 bonds (distance) P-C4' energy: -155.358 flat angles C4'-P-C4' energy: -174.910 flat angles P-C4'-P energy: -121.001 tors. eta vs tors. theta energy: -251.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -2762.679824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.679824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.679824 (E_RNA) where: Base-Base interactions energy: -1949.421 where: short stacking energy: -771.950 Base-Backbone interact. energy: -1.813 local terms energy: -811.445645 where: bonds (distance) C4'-P energy: -171.946 bonds (distance) P-C4' energy: -145.103 flat angles C4'-P-C4' energy: -164.685 flat angles P-C4'-P energy: -116.406 tors. eta vs tors. theta energy: -213.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3889.910075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3889.910075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3889.910075 (E_RNA) where: Base-Base interactions energy: -2822.561 where: short stacking energy: -1093.626 Base-Backbone interact. energy: -2.131 local terms energy: -1065.217679 where: bonds (distance) C4'-P energy: -181.550 bonds (distance) P-C4' energy: -180.205 flat angles C4'-P-C4' energy: -220.577 flat angles P-C4'-P energy: -158.344 tors. eta vs tors. theta energy: -324.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -3817.854695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.854695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.854695 (E_RNA) where: Base-Base interactions energy: -2780.808 where: short stacking energy: -1080.195 Base-Backbone interact. energy: -2.090 local terms energy: -1034.956355 where: bonds (distance) C4'-P energy: -189.480 bonds (distance) P-C4' energy: -177.521 flat angles C4'-P-C4' energy: -218.788 flat angles P-C4'-P energy: -140.247 tors. eta vs tors. theta energy: -308.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -3672.795801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3672.795801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3672.795801 (E_RNA) where: Base-Base interactions energy: -2660.178 where: short stacking energy: -1045.127 Base-Backbone interact. energy: 1.011 local terms energy: -1013.629292 where: bonds (distance) C4'-P energy: -166.820 bonds (distance) P-C4' energy: -174.446 flat angles C4'-P-C4' energy: -222.002 flat angles P-C4'-P energy: -147.822 tors. eta vs tors. theta energy: -302.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -3634.482517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3634.482517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3634.482517 (E_RNA) where: Base-Base interactions energy: -2661.460 where: short stacking energy: -1027.250 Base-Backbone interact. energy: 5.710 local terms energy: -978.732628 where: bonds (distance) C4'-P energy: -172.675 bonds (distance) P-C4' energy: -159.552 flat angles C4'-P-C4' energy: -208.298 flat angles P-C4'-P energy: -136.105 tors. eta vs tors. theta energy: -302.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -3568.999096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.999096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.999096 (E_RNA) where: Base-Base interactions energy: -2611.742 where: short stacking energy: -1002.333 Base-Backbone interact. energy: -1.172 local terms energy: -956.085003 where: bonds (distance) C4'-P energy: -169.752 bonds (distance) P-C4' energy: -174.320 flat angles C4'-P-C4' energy: -191.946 flat angles P-C4'-P energy: -123.213 tors. eta vs tors. theta energy: -296.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -3321.731334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.731334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.731334 (E_RNA) where: Base-Base interactions energy: -2450.439 where: short stacking energy: -946.436 Base-Backbone interact. energy: 1.086 local terms energy: -872.378033 where: bonds (distance) C4'-P energy: -133.511 bonds (distance) P-C4' energy: -159.066 flat angles C4'-P-C4' energy: -196.021 flat angles P-C4'-P energy: -123.664 tors. eta vs tors. theta energy: -260.117 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: 7, replica: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -3332.925197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.925197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.925197 (E_RNA) where: Base-Base interactions energy: -2418.011 where: short stacking energy: -936.581 Base-Backbone interact. energy: -3.223 local terms energy: -911.690777 where: bonds (distance) C4'-P energy: -152.514 bonds (distance) P-C4' energy: -145.276 flat angles C4'-P-C4' energy: -201.683 flat angles P-C4'-P energy: -127.309 tors. eta vs tors. theta energy: -284.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -3100.426609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.426609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.426609 (E_RNA) where: Base-Base interactions energy: -2253.170 where: short stacking energy: -890.078 Base-Backbone interact. energy: -1.175 local terms energy: -846.082100 where: bonds (distance) C4'-P energy: -143.746 bonds (distance) P-C4' energy: -139.510 flat angles C4'-P-C4' energy: -187.029 flat angles P-C4'-P energy: -115.253 tors. eta vs tors. theta energy: -260.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -3046.812691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.812691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.812691 (E_RNA) where: Base-Base interactions energy: -2196.366 where: short stacking energy: -849.366 Base-Backbone interact. energy: -0.048 local terms energy: -850.398622 where: bonds (distance) C4'-P energy: -117.380 bonds (distance) P-C4' energy: -158.518 flat angles C4'-P-C4' energy: -193.937 flat angles P-C4'-P energy: -123.606 tors. eta vs tors. theta energy: -256.957 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: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -2739.028083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.028083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.028083 (E_RNA) where: Base-Base interactions energy: -1965.371 where: short stacking energy: -771.520 Base-Backbone interact. energy: 2.263 local terms energy: -775.920583 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -136.664 flat angles C4'-P-C4' energy: -174.974 flat angles P-C4'-P energy: -98.656 tors. eta vs tors. theta energy: -216.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3871.251030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3871.251030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3871.251030 (E_RNA) where: Base-Base interactions energy: -2793.931 where: short stacking energy: -1091.007 Base-Backbone interact. energy: -2.547 local terms energy: -1074.772867 where: bonds (distance) C4'-P energy: -185.229 bonds (distance) P-C4' energy: -190.555 flat angles C4'-P-C4' energy: -221.753 flat angles P-C4'-P energy: -162.349 tors. eta vs tors. theta energy: -314.888 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: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -3762.580984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3762.580984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3762.580984 (E_RNA) where: Base-Base interactions energy: -2730.258 where: short stacking energy: -1062.393 Base-Backbone interact. energy: -3.119 local terms energy: -1029.203692 where: bonds (distance) C4'-P energy: -173.152 bonds (distance) P-C4' energy: -181.879 flat angles C4'-P-C4' energy: -214.935 flat angles P-C4'-P energy: -146.797 tors. eta vs tors. theta energy: -312.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -3678.052621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3678.052621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3678.052621 (E_RNA) where: Base-Base interactions energy: -2669.581 where: short stacking energy: -1050.372 Base-Backbone interact. energy: 1.226 local terms energy: -1009.697806 where: bonds (distance) C4'-P energy: -176.913 bonds (distance) P-C4' energy: -159.540 flat angles C4'-P-C4' energy: -201.696 flat angles P-C4'-P energy: -159.163 tors. eta vs tors. theta energy: -312.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -3617.969808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3617.969808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3617.969808 (E_RNA) where: Base-Base interactions energy: -2652.768 where: short stacking energy: -1009.115 Base-Backbone interact. energy: 1.235 local terms energy: -966.436350 where: bonds (distance) C4'-P energy: -154.491 bonds (distance) P-C4' energy: -163.642 flat angles C4'-P-C4' energy: -201.697 flat angles P-C4'-P energy: -152.784 tors. eta vs tors. theta energy: -293.821 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: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -3598.380518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.380518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.380518 (E_RNA) where: Base-Base interactions energy: -2649.151 where: short stacking energy: -1003.451 Base-Backbone interact. energy: -0.483 local terms energy: -948.746398 where: bonds (distance) C4'-P energy: -156.224 bonds (distance) P-C4' energy: -161.328 flat angles C4'-P-C4' energy: -200.090 flat angles P-C4'-P energy: -130.316 tors. eta vs tors. theta energy: -300.788 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: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -3297.741483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.741483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.741483 (E_RNA) where: Base-Base interactions energy: -2388.804 where: short stacking energy: -925.271 Base-Backbone interact. energy: -1.432 local terms energy: -907.505553 where: bonds (distance) C4'-P energy: -136.816 bonds (distance) P-C4' energy: -167.858 flat angles C4'-P-C4' energy: -205.295 flat angles P-C4'-P energy: -130.402 tors. eta vs tors. theta energy: -267.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -3267.125185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.125185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.125185 (E_RNA) where: Base-Base interactions energy: -2374.097 where: short stacking energy: -908.258 Base-Backbone interact. energy: -1.237 local terms energy: -891.790739 where: bonds (distance) C4'-P energy: -134.653 bonds (distance) P-C4' energy: -158.021 flat angles C4'-P-C4' energy: -189.764 flat angles P-C4'-P energy: -143.446 tors. eta vs tors. theta energy: -265.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -3093.996237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.996237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.996237 (E_RNA) where: Base-Base interactions energy: -2225.736 where: short stacking energy: -886.062 Base-Backbone interact. energy: 4.388 local terms energy: -872.647797 where: bonds (distance) C4'-P energy: -153.473 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -187.606 flat angles P-C4'-P energy: -125.850 tors. eta vs tors. theta energy: -257.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -3113.034454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.034454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.034454 (E_RNA) where: Base-Base interactions energy: -2269.961 where: short stacking energy: -873.269 Base-Backbone interact. energy: -0.438 local terms energy: -842.636140 where: bonds (distance) C4'-P energy: -146.602 bonds (distance) P-C4' energy: -142.779 flat angles C4'-P-C4' energy: -173.653 flat angles P-C4'-P energy: -119.004 tors. eta vs tors. theta energy: -260.597 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: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -2760.442616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.442616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.442616 (E_RNA) where: Base-Base interactions energy: -1975.389 where: short stacking energy: -777.443 Base-Backbone interact. energy: -0.929 local terms energy: -784.125027 where: bonds (distance) C4'-P energy: -131.884 bonds (distance) P-C4' energy: -136.769 flat angles C4'-P-C4' energy: -182.548 flat angles P-C4'-P energy: -114.817 tors. eta vs tors. theta energy: -218.107 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: 1, replica: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3887.204403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3887.204403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3887.204403 (E_RNA) where: Base-Base interactions energy: -2804.346 where: short stacking energy: -1083.934 Base-Backbone interact. energy: -1.033 local terms energy: -1081.825486 where: bonds (distance) C4'-P energy: -183.978 bonds (distance) P-C4' energy: -179.285 flat angles C4'-P-C4' energy: -227.337 flat angles P-C4'-P energy: -167.951 tors. eta vs tors. theta energy: -323.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3753.357045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3753.357045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3753.357045 (E_RNA) where: Base-Base interactions energy: -2734.053 where: short stacking energy: -1068.647 Base-Backbone interact. energy: 0.788 local terms energy: -1020.091845 where: bonds (distance) C4'-P energy: -172.257 bonds (distance) P-C4' energy: -168.004 flat angles C4'-P-C4' energy: -215.820 flat angles P-C4'-P energy: -156.275 tors. eta vs tors. theta energy: -307.736 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: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -3660.510414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3660.510414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3660.510414 (E_RNA) where: Base-Base interactions energy: -2691.447 where: short stacking energy: -1061.694 Base-Backbone interact. energy: 0.676 local terms energy: -969.739859 where: bonds (distance) C4'-P energy: -161.064 bonds (distance) P-C4' energy: -159.666 flat angles C4'-P-C4' energy: -219.247 flat angles P-C4'-P energy: -123.826 tors. eta vs tors. theta energy: -305.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -3652.120560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3652.120560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3652.120560 (E_RNA) where: Base-Base interactions energy: -2657.638 where: short stacking energy: -1012.577 Base-Backbone interact. energy: 2.197 local terms energy: -996.679721 where: bonds (distance) C4'-P energy: -171.701 bonds (distance) P-C4' energy: -172.692 flat angles C4'-P-C4' energy: -211.319 flat angles P-C4'-P energy: -137.705 tors. eta vs tors. theta energy: -303.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -3538.178403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3538.178403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3538.178403 (E_RNA) where: Base-Base interactions energy: -2607.729 where: short stacking energy: -1000.716 Base-Backbone interact. energy: -1.440 local terms energy: -929.008998 where: bonds (distance) C4'-P energy: -153.370 bonds (distance) P-C4' energy: -161.986 flat angles C4'-P-C4' energy: -199.293 flat angles P-C4'-P energy: -127.464 tors. eta vs tors. theta energy: -286.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -3316.534224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3316.534224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3316.534224 (E_RNA) where: Base-Base interactions energy: -2441.106 where: short stacking energy: -946.952 Base-Backbone interact. energy: 0.411 local terms energy: -875.838798 where: bonds (distance) C4'-P energy: -132.566 bonds (distance) P-C4' energy: -152.092 flat angles C4'-P-C4' energy: -201.376 flat angles P-C4'-P energy: -130.708 tors. eta vs tors. theta energy: -259.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -3276.162258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.162258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.162258 (E_RNA) where: Base-Base interactions energy: -2377.331 where: short stacking energy: -930.458 Base-Backbone interact. energy: -2.002 local terms energy: -896.828961 where: bonds (distance) C4'-P energy: -146.366 bonds (distance) P-C4' energy: -163.610 flat angles C4'-P-C4' energy: -185.605 flat angles P-C4'-P energy: -142.766 tors. eta vs tors. theta energy: -258.482 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: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -3068.625142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.625142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.625142 (E_RNA) where: Base-Base interactions energy: -2236.318 where: short stacking energy: -848.266 Base-Backbone interact. energy: 4.800 local terms energy: -837.106655 where: bonds (distance) C4'-P energy: -144.002 bonds (distance) P-C4' energy: -141.917 flat angles C4'-P-C4' energy: -188.215 flat angles P-C4'-P energy: -122.416 tors. eta vs tors. theta energy: -240.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -3073.240872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.240872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.240872 (E_RNA) where: Base-Base interactions energy: -2264.933 where: short stacking energy: -876.165 Base-Backbone interact. energy: -0.820 local terms energy: -807.488008 where: bonds (distance) C4'-P energy: -124.267 bonds (distance) P-C4' energy: -139.839 flat angles C4'-P-C4' energy: -186.062 flat angles P-C4'-P energy: -107.775 tors. eta vs tors. theta energy: -249.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -2704.632312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.632312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.632312 (E_RNA) where: Base-Base interactions energy: -1941.944 where: short stacking energy: -751.087 Base-Backbone interact. energy: 0.244 local terms energy: -762.932468 where: bonds (distance) C4'-P energy: -133.533 bonds (distance) P-C4' energy: -148.682 flat angles C4'-P-C4' energy: -172.446 flat angles P-C4'-P energy: -94.313 tors. eta vs tors. theta energy: -213.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3914.867623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3914.867623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3914.867623 (E_RNA) where: Base-Base interactions energy: -2824.171 where: short stacking energy: -1100.517 Base-Backbone interact. energy: -1.177 local terms energy: -1089.518906 where: bonds (distance) C4'-P energy: -192.870 bonds (distance) P-C4' energy: -189.589 flat angles C4'-P-C4' energy: -214.223 flat angles P-C4'-P energy: -169.259 tors. eta vs tors. theta energy: -323.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3756.713014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.713014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.713014 (E_RNA) where: Base-Base interactions energy: -2740.238 where: short stacking energy: -1070.233 Base-Backbone interact. energy: -2.618 local terms energy: -1013.857547 where: bonds (distance) C4'-P energy: -176.309 bonds (distance) P-C4' energy: -160.443 flat angles C4'-P-C4' energy: -216.419 flat angles P-C4'-P energy: -148.234 tors. eta vs tors. theta energy: -312.453 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: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -3668.164975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3668.164975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3668.164975 (E_RNA) where: Base-Base interactions energy: -2647.545 where: short stacking energy: -1044.736 Base-Backbone interact. energy: 0.123 local terms energy: -1020.743101 where: bonds (distance) C4'-P energy: -173.818 bonds (distance) P-C4' energy: -187.689 flat angles C4'-P-C4' energy: -203.490 flat angles P-C4'-P energy: -145.993 tors. eta vs tors. theta energy: -309.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -3631.970879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3631.970879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3631.970879 (E_RNA) where: Base-Base interactions energy: -2674.235 where: short stacking energy: -1032.844 Base-Backbone interact. energy: -0.076 local terms energy: -957.659037 where: bonds (distance) C4'-P energy: -166.555 bonds (distance) P-C4' energy: -163.806 flat angles C4'-P-C4' energy: -192.201 flat angles P-C4'-P energy: -138.445 tors. eta vs tors. theta energy: -296.652 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: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -3561.141955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3561.141955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3561.141955 (E_RNA) where: Base-Base interactions energy: -2617.256 where: short stacking energy: -1020.111 Base-Backbone interact. energy: 6.025 local terms energy: -949.911018 where: bonds (distance) C4'-P energy: -146.414 bonds (distance) P-C4' energy: -169.853 flat angles C4'-P-C4' energy: -208.049 flat angles P-C4'-P energy: -139.365 tors. eta vs tors. theta energy: -286.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -3340.023605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3340.023605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3340.023605 (E_RNA) where: Base-Base interactions energy: -2453.137 where: short stacking energy: -947.311 Base-Backbone interact. energy: 1.564 local terms energy: -888.450639 where: bonds (distance) C4'-P energy: -152.194 bonds (distance) P-C4' energy: -141.963 flat angles C4'-P-C4' energy: -201.028 flat angles P-C4'-P energy: -126.156 tors. eta vs tors. theta energy: -267.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -3217.344100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.344100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.344100 (E_RNA) where: Base-Base interactions energy: -2322.653 where: short stacking energy: -913.888 Base-Backbone interact. energy: 1.077 local terms energy: -895.767468 where: bonds (distance) C4'-P energy: -157.191 bonds (distance) P-C4' energy: -153.636 flat angles C4'-P-C4' energy: -198.851 flat angles P-C4'-P energy: -126.847 tors. eta vs tors. theta energy: -259.242 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: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -3245.166172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.166172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.166172 (E_RNA) where: Base-Base interactions energy: -2376.719 where: short stacking energy: -920.258 Base-Backbone interact. energy: -2.264 local terms energy: -866.183189 where: bonds (distance) C4'-P energy: -142.839 bonds (distance) P-C4' energy: -145.004 flat angles C4'-P-C4' energy: -198.540 flat angles P-C4'-P energy: -114.536 tors. eta vs tors. theta energy: -265.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -3037.453192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.453192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.453192 (E_RNA) where: Base-Base interactions energy: -2177.623 where: short stacking energy: -837.805 Base-Backbone interact. energy: -1.534 local terms energy: -858.296668 where: bonds (distance) C4'-P energy: -155.658 bonds (distance) P-C4' energy: -157.780 flat angles C4'-P-C4' energy: -186.141 flat angles P-C4'-P energy: -108.672 tors. eta vs tors. theta energy: -250.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -2781.608778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.608778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.608778 (E_RNA) where: Base-Base interactions energy: -2032.175 where: short stacking energy: -790.493 Base-Backbone interact. energy: 0.806 local terms energy: -750.239426 where: bonds (distance) C4'-P energy: -122.868 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -180.090 flat angles P-C4'-P energy: -99.950 tors. eta vs tors. theta energy: -209.810 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: 1 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3895.358089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3895.358089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3895.358089 (E_RNA) where: Base-Base interactions energy: -2838.590 where: short stacking energy: -1100.279 Base-Backbone interact. energy: -2.588 local terms energy: -1054.180497 where: bonds (distance) C4'-P energy: -170.663 bonds (distance) P-C4' energy: -180.641 flat angles C4'-P-C4' energy: -217.381 flat angles P-C4'-P energy: -164.203 tors. eta vs tors. theta energy: -321.291 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: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -3764.198231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3764.198231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3764.198231 (E_RNA) where: Base-Base interactions energy: -2714.673 where: short stacking energy: -1054.350 Base-Backbone interact. energy: 2.867 local terms energy: -1052.392439 where: bonds (distance) C4'-P energy: -168.837 bonds (distance) P-C4' energy: -195.657 flat angles C4'-P-C4' energy: -217.968 flat angles P-C4'-P energy: -156.654 tors. eta vs tors. theta energy: -313.276 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: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -3667.767838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3667.767838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3667.767838 (E_RNA) where: Base-Base interactions energy: -2673.936 where: short stacking energy: -1024.944 Base-Backbone interact. energy: 1.031 local terms energy: -994.862799 where: bonds (distance) C4'-P energy: -164.503 bonds (distance) P-C4' energy: -176.913 flat angles C4'-P-C4' energy: -203.220 flat angles P-C4'-P energy: -140.819 tors. eta vs tors. theta energy: -309.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -3613.858671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3613.858671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3613.858671 (E_RNA) where: Base-Base interactions energy: -2647.776 where: short stacking energy: -1028.041 Base-Backbone interact. energy: -2.626 local terms energy: -963.457167 where: bonds (distance) C4'-P energy: -163.736 bonds (distance) P-C4' energy: -180.925 flat angles C4'-P-C4' energy: -205.070 flat angles P-C4'-P energy: -121.407 tors. eta vs tors. theta energy: -292.319 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: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -3577.975707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3577.975707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3577.975707 (E_RNA) where: Base-Base interactions energy: -2630.565 where: short stacking energy: -1014.679 Base-Backbone interact. energy: 1.886 local terms energy: -949.297055 where: bonds (distance) C4'-P energy: -167.096 bonds (distance) P-C4' energy: -160.627 flat angles C4'-P-C4' energy: -198.548 flat angles P-C4'-P energy: -135.236 tors. eta vs tors. theta energy: -287.789 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: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -3377.626746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3377.626746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3377.626746 (E_RNA) where: Base-Base interactions energy: -2444.430 where: short stacking energy: -936.379 Base-Backbone interact. energy: -1.717 local terms energy: -931.480287 where: bonds (distance) C4'-P energy: -159.352 bonds (distance) P-C4' energy: -171.029 flat angles C4'-P-C4' energy: -196.998 flat angles P-C4'-P energy: -116.625 tors. eta vs tors. theta energy: -287.476 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: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -3345.953448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.953448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.953448 (E_RNA) where: Base-Base interactions energy: -2462.438 where: short stacking energy: -940.029 Base-Backbone interact. energy: -1.753 local terms energy: -881.762650 where: bonds (distance) C4'-P energy: -131.632 bonds (distance) P-C4' energy: -152.423 flat angles C4'-P-C4' energy: -191.193 flat angles P-C4'-P energy: -128.890 tors. eta vs tors. theta energy: -277.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -3182.116093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.116093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.116093 (E_RNA) where: Base-Base interactions energy: -2276.196 where: short stacking energy: -873.276 Base-Backbone interact. energy: 5.030 local terms energy: -910.950488 where: bonds (distance) C4'-P energy: -157.918 bonds (distance) P-C4' energy: -159.902 flat angles C4'-P-C4' energy: -200.263 flat angles P-C4'-P energy: -124.478 tors. eta vs tors. theta energy: -268.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -3031.394853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.394853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.394853 (E_RNA) where: Base-Base interactions energy: -2193.634 where: short stacking energy: -850.180 Base-Backbone interact. energy: -3.981 local terms energy: -833.779840 where: bonds (distance) C4'-P energy: -144.357 bonds (distance) P-C4' energy: -145.017 flat angles C4'-P-C4' energy: -175.784 flat angles P-C4'-P energy: -105.535 tors. eta vs tors. theta energy: -263.087 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: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -2803.758425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.758425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.758425 (E_RNA) where: Base-Base interactions energy: -2039.274 where: short stacking energy: -796.836 Base-Backbone interact. energy: -0.643 local terms energy: -763.841910 where: bonds (distance) C4'-P energy: -129.309 bonds (distance) P-C4' energy: -130.640 flat angles C4'-P-C4' energy: -159.940 flat angles P-C4'-P energy: -120.207 tors. eta vs tors. theta energy: -223.746 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: 1, replica: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3893.064682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3893.064682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3893.064682 (E_RNA) where: Base-Base interactions energy: -2815.990 where: short stacking energy: -1075.570 Base-Backbone interact. energy: -8.183 local terms energy: -1068.891253 where: bonds (distance) C4'-P energy: -190.446 bonds (distance) P-C4' energy: -196.022 flat angles C4'-P-C4' energy: -222.179 flat angles P-C4'-P energy: -142.745 tors. eta vs tors. theta energy: -317.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -3760.364455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3760.364455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3760.364455 (E_RNA) where: Base-Base interactions energy: -2724.229 where: short stacking energy: -1065.302 Base-Backbone interact. energy: -1.177 local terms energy: -1034.959092 where: bonds (distance) C4'-P energy: -180.225 bonds (distance) P-C4' energy: -175.696 flat angles C4'-P-C4' energy: -213.253 flat angles P-C4'-P energy: -158.670 tors. eta vs tors. theta energy: -307.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -3681.961580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3681.961580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3681.961580 (E_RNA) where: Base-Base interactions energy: -2677.150 where: short stacking energy: -1035.133 Base-Backbone interact. energy: -1.417 local terms energy: -1003.394988 where: bonds (distance) C4'-P energy: -167.467 bonds (distance) P-C4' energy: -166.983 flat angles C4'-P-C4' energy: -223.695 flat angles P-C4'-P energy: -132.403 tors. eta vs tors. theta energy: -312.847 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: 343 Temperature: 1.050000 Total energy: -3614.926753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.926753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.926753 (E_RNA) where: Base-Base interactions energy: -2645.968 where: short stacking energy: -1004.383 Base-Backbone interact. energy: -2.640 local terms energy: -966.318497 where: bonds (distance) C4'-P energy: -177.914 bonds (distance) P-C4' energy: -168.050 flat angles C4'-P-C4' energy: -194.785 flat angles P-C4'-P energy: -128.910 tors. eta vs tors. theta energy: -296.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -3564.621025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3564.621025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3564.621025 (E_RNA) where: Base-Base interactions energy: -2606.809 where: short stacking energy: -1002.583 Base-Backbone interact. energy: 0.279 local terms energy: -958.090808 where: bonds (distance) C4'-P energy: -148.986 bonds (distance) P-C4' energy: -168.955 flat angles C4'-P-C4' energy: -199.870 flat angles P-C4'-P energy: -151.444 tors. eta vs tors. theta energy: -288.836 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: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -3413.421063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3413.421063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3413.421063 (E_RNA) where: Base-Base interactions energy: -2458.788 where: short stacking energy: -960.035 Base-Backbone interact. energy: -2.899 local terms energy: -951.734490 where: bonds (distance) C4'-P energy: -165.314 bonds (distance) P-C4' energy: -177.912 flat angles C4'-P-C4' energy: -192.363 flat angles P-C4'-P energy: -133.476 tors. eta vs tors. theta energy: -282.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -3304.415099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.415099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.415099 (E_RNA) where: Base-Base interactions energy: -2397.037 where: short stacking energy: -927.359 Base-Backbone interact. energy: 2.986 local terms energy: -910.364084 where: bonds (distance) C4'-P energy: -148.239 bonds (distance) P-C4' energy: -167.008 flat angles C4'-P-C4' energy: -201.695 flat angles P-C4'-P energy: -131.244 tors. eta vs tors. theta energy: -262.179 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: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -3200.258250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.258250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.258250 (E_RNA) where: Base-Base interactions energy: -2318.076 where: short stacking energy: -907.382 Base-Backbone interact. energy: 0.363 local terms energy: -882.545456 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -161.633 flat angles C4'-P-C4' energy: -191.889 flat angles P-C4'-P energy: -120.472 tors. eta vs tors. theta energy: -267.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -3066.704942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.704942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.704942 (E_RNA) where: Base-Base interactions energy: -2232.235 where: short stacking energy: -862.340 Base-Backbone interact. energy: -3.103 local terms energy: -831.366742 where: bonds (distance) C4'-P energy: -127.756 bonds (distance) P-C4' energy: -139.738 flat angles C4'-P-C4' energy: -169.027 flat angles P-C4'-P energy: -133.514 tors. eta vs tors. theta energy: -261.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -2723.171253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.171253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.171253 (E_RNA) where: Base-Base interactions energy: -1954.094 where: short stacking energy: -760.183 Base-Backbone interact. energy: -0.724 local terms energy: -768.352924 where: bonds (distance) C4'-P energy: -130.293 bonds (distance) P-C4' energy: -147.832 flat angles C4'-P-C4' energy: -162.690 flat angles P-C4'-P energy: -112.000 tors. eta vs tors. theta energy: -215.538 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: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3886.516988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3886.516988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3886.516988 (E_RNA) where: Base-Base interactions energy: -2825.047 where: short stacking energy: -1088.190 Base-Backbone interact. energy: -0.516 local terms energy: -1060.953923 where: bonds (distance) C4'-P energy: -175.835 bonds (distance) P-C4' energy: -187.217 flat angles C4'-P-C4' energy: -218.350 flat angles P-C4'-P energy: -162.258 tors. eta vs tors. theta energy: -317.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -3770.178425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3770.178425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3770.178425 (E_RNA) where: Base-Base interactions energy: -2745.831 where: short stacking energy: -1085.217 Base-Backbone interact. energy: -1.875 local terms energy: -1022.471790 where: bonds (distance) C4'-P energy: -185.929 bonds (distance) P-C4' energy: -181.835 flat angles C4'-P-C4' energy: -214.084 flat angles P-C4'-P energy: -127.876 tors. eta vs tors. theta energy: -312.747 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: 3, replica: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -3688.067306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3688.067306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3688.067306 (E_RNA) where: Base-Base interactions energy: -2657.171 where: short stacking energy: -1027.833 Base-Backbone interact. energy: -3.748 local terms energy: -1027.148109 where: bonds (distance) C4'-P energy: -179.764 bonds (distance) P-C4' energy: -180.877 flat angles C4'-P-C4' energy: -214.973 flat angles P-C4'-P energy: -145.232 tors. eta vs tors. theta energy: -306.302 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: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -3623.385444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3623.385444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3623.385444 (E_RNA) where: Base-Base interactions energy: -2648.909 where: short stacking energy: -1019.658 Base-Backbone interact. energy: 0.840 local terms energy: -975.317125 where: bonds (distance) C4'-P energy: -160.660 bonds (distance) P-C4' energy: -188.697 flat angles C4'-P-C4' energy: -196.662 flat angles P-C4'-P energy: -136.547 tors. eta vs tors. theta energy: -292.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -3588.067710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3588.067710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3588.067710 (E_RNA) where: Base-Base interactions energy: -2635.885 where: short stacking energy: -1023.698 Base-Backbone interact. energy: 1.882 local terms energy: -954.064344 where: bonds (distance) C4'-P energy: -159.066 bonds (distance) P-C4' energy: -158.971 flat angles C4'-P-C4' energy: -194.676 flat angles P-C4'-P energy: -142.956 tors. eta vs tors. theta energy: -298.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -3396.030417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.030417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.030417 (E_RNA) where: Base-Base interactions energy: -2487.577 where: short stacking energy: -967.642 Base-Backbone interact. energy: -2.110 local terms energy: -906.343364 where: bonds (distance) C4'-P energy: -147.561 bonds (distance) P-C4' energy: -151.882 flat angles C4'-P-C4' energy: -198.965 flat angles P-C4'-P energy: -124.228 tors. eta vs tors. theta energy: -283.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -3297.802874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.802874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.802874 (E_RNA) where: Base-Base interactions energy: -2379.961 where: short stacking energy: -907.105 Base-Backbone interact. energy: 1.253 local terms energy: -919.094520 where: bonds (distance) C4'-P energy: -161.107 bonds (distance) P-C4' energy: -158.960 flat angles C4'-P-C4' energy: -196.736 flat angles P-C4'-P energy: -134.793 tors. eta vs tors. theta energy: -267.498 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: 344 Temperature: 1.250000 Total energy: -3113.448494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.448494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.448494 (E_RNA) where: Base-Base interactions energy: -2262.496 where: short stacking energy: -875.706 Base-Backbone interact. energy: -1.441 local terms energy: -849.511265 where: bonds (distance) C4'-P energy: -137.408 bonds (distance) P-C4' energy: -143.620 flat angles C4'-P-C4' energy: -200.456 flat angles P-C4'-P energy: -112.810 tors. eta vs tors. theta energy: -255.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -3019.913137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.913137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.913137 (E_RNA) where: Base-Base interactions energy: -2162.902 where: short stacking energy: -830.671 Base-Backbone interact. energy: -2.589 local terms energy: -854.422544 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -157.019 flat angles C4'-P-C4' energy: -191.988 flat angles P-C4'-P energy: -111.427 tors. eta vs tors. theta energy: -244.319 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: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -2826.662175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.662175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.662175 (E_RNA) where: Base-Base interactions energy: -2059.532 where: short stacking energy: -784.873 Base-Backbone interact. energy: -1.312 local terms energy: -765.818322 where: bonds (distance) C4'-P energy: -133.100 bonds (distance) P-C4' energy: -164.226 flat angles C4'-P-C4' energy: -146.163 flat angles P-C4'-P energy: -107.101 tors. eta vs tors. theta energy: -215.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3911.856533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3911.856533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3911.856533 (E_RNA) where: Base-Base interactions energy: -2832.410 where: short stacking energy: -1065.350 Base-Backbone interact. energy: -2.663 local terms energy: -1076.783007 where: bonds (distance) C4'-P energy: -182.941 bonds (distance) P-C4' energy: -186.652 flat angles C4'-P-C4' energy: -234.277 flat angles P-C4'-P energy: -152.203 tors. eta vs tors. theta energy: -320.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -3825.312303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.312303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.312303 (E_RNA) where: Base-Base interactions energy: -2770.966 where: short stacking energy: -1072.940 Base-Backbone interact. energy: -1.823 local terms energy: -1052.523550 where: bonds (distance) C4'-P energy: -175.333 bonds (distance) P-C4' energy: -197.922 flat angles C4'-P-C4' energy: -219.860 flat angles P-C4'-P energy: -156.356 tors. eta vs tors. theta energy: -303.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -3659.046141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3659.046141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3659.046141 (E_RNA) where: Base-Base interactions energy: -2638.201 where: short stacking energy: -1029.704 Base-Backbone interact. energy: -1.322 local terms energy: -1019.522772 where: bonds (distance) C4'-P energy: -175.421 bonds (distance) P-C4' energy: -175.273 flat angles C4'-P-C4' energy: -221.645 flat angles P-C4'-P energy: -144.905 tors. eta vs tors. theta energy: -302.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -3672.736450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3672.736450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3672.736450 (E_RNA) where: Base-Base interactions energy: -2672.693 where: short stacking energy: -1009.559 Base-Backbone interact. energy: 2.350 local terms energy: -1002.393411 where: bonds (distance) C4'-P energy: -183.678 bonds (distance) P-C4' energy: -169.115 flat angles C4'-P-C4' energy: -218.644 flat angles P-C4'-P energy: -138.311 tors. eta vs tors. theta energy: -292.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -3561.482910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3561.482910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3561.482910 (E_RNA) where: Base-Base interactions energy: -2598.761 where: short stacking energy: -982.571 Base-Backbone interact. energy: 5.241 local terms energy: -967.963420 where: bonds (distance) C4'-P energy: -166.179 bonds (distance) P-C4' energy: -167.532 flat angles C4'-P-C4' energy: -208.374 flat angles P-C4'-P energy: -138.659 tors. eta vs tors. theta energy: -287.219 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: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -3425.211822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3425.211822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3425.211822 (E_RNA) where: Base-Base interactions energy: -2496.312 where: short stacking energy: -960.248 Base-Backbone interact. energy: 1.165 local terms energy: -930.065269 where: bonds (distance) C4'-P energy: -150.637 bonds (distance) P-C4' energy: -149.602 flat angles C4'-P-C4' energy: -200.326 flat angles P-C4'-P energy: -135.424 tors. eta vs tors. theta energy: -294.076 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: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -3301.797670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.797670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.797670 (E_RNA) where: Base-Base interactions energy: -2426.896 where: short stacking energy: -938.904 Base-Backbone interact. energy: -2.661 local terms energy: -872.240695 where: bonds (distance) C4'-P energy: -148.600 bonds (distance) P-C4' energy: -153.702 flat angles C4'-P-C4' energy: -188.156 flat angles P-C4'-P energy: -114.388 tors. eta vs tors. theta energy: -267.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -3149.301740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.301740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.301740 (E_RNA) where: Base-Base interactions energy: -2280.750 where: short stacking energy: -915.333 Base-Backbone interact. energy: -0.513 local terms energy: -868.038761 where: bonds (distance) C4'-P energy: -142.751 bonds (distance) P-C4' energy: -160.890 flat angles C4'-P-C4' energy: -190.351 flat angles P-C4'-P energy: -100.308 tors. eta vs tors. theta energy: -273.739 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: 9, replica: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -2930.809258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.809258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.809258 (E_RNA) where: Base-Base interactions energy: -2114.695 where: short stacking energy: -846.049 Base-Backbone interact. energy: -2.458 local terms energy: -813.656313 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -156.591 flat angles C4'-P-C4' energy: -179.211 flat angles P-C4'-P energy: -98.172 tors. eta vs tors. theta energy: -244.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -2816.860088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.860088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.860088 (E_RNA) where: Base-Base interactions energy: -2078.251 where: short stacking energy: -774.865 Base-Backbone interact. energy: -0.811 local terms energy: -737.798388 where: bonds (distance) C4'-P energy: -112.407 bonds (distance) P-C4' energy: -141.638 flat angles C4'-P-C4' energy: -166.057 flat angles P-C4'-P energy: -99.380 tors. eta vs tors. theta energy: -218.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3859.959307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3859.959307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3859.959307 (E_RNA) where: Base-Base interactions energy: -2793.967 where: short stacking energy: -1074.202 Base-Backbone interact. energy: 0.870 local terms energy: -1066.861881 where: bonds (distance) C4'-P energy: -195.690 bonds (distance) P-C4' energy: -179.584 flat angles C4'-P-C4' energy: -231.514 flat angles P-C4'-P energy: -150.022 tors. eta vs tors. theta energy: -310.052 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: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -3823.631881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.631881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.631881 (E_RNA) where: Base-Base interactions energy: -2782.176 where: short stacking energy: -1077.018 Base-Backbone interact. energy: 0.799 local terms energy: -1042.255051 where: bonds (distance) C4'-P energy: -177.923 bonds (distance) P-C4' energy: -182.654 flat angles C4'-P-C4' energy: -206.636 flat angles P-C4'-P energy: -158.461 tors. eta vs tors. theta energy: -316.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -3667.849544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3667.849544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3667.849544 (E_RNA) where: Base-Base interactions energy: -2719.453 where: short stacking energy: -1044.006 Base-Backbone interact. energy: 0.487 local terms energy: -948.883541 where: bonds (distance) C4'-P energy: -164.378 bonds (distance) P-C4' energy: -150.184 flat angles C4'-P-C4' energy: -207.849 flat angles P-C4'-P energy: -126.157 tors. eta vs tors. theta energy: -300.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -3625.559422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.559422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.559422 (E_RNA) where: Base-Base interactions energy: -2662.550 where: short stacking energy: -1021.333 Base-Backbone interact. energy: 2.004 local terms energy: -965.014033 where: bonds (distance) C4'-P energy: -130.428 bonds (distance) P-C4' energy: -178.690 flat angles C4'-P-C4' energy: -201.647 flat angles P-C4'-P energy: -162.208 tors. eta vs tors. theta energy: -292.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -3597.539060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.539060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.539060 (E_RNA) where: Base-Base interactions energy: -2613.808 where: short stacking energy: -1016.416 Base-Backbone interact. energy: 2.468 local terms energy: -986.198562 where: bonds (distance) C4'-P energy: -146.750 bonds (distance) P-C4' energy: -171.457 flat angles C4'-P-C4' energy: -220.884 flat angles P-C4'-P energy: -141.466 tors. eta vs tors. theta energy: -305.642 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: 346 Temperature: 1.150000 Total energy: -3413.606835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3413.606835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3413.606835 (E_RNA) where: Base-Base interactions energy: -2498.144 where: short stacking energy: -960.110 Base-Backbone interact. energy: -0.027 local terms energy: -915.435722 where: bonds (distance) C4'-P energy: -155.748 bonds (distance) P-C4' energy: -144.796 flat angles C4'-P-C4' energy: -208.751 flat angles P-C4'-P energy: -135.410 tors. eta vs tors. theta energy: -270.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -3324.806060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.806060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.806060 (E_RNA) where: Base-Base interactions energy: -2443.813 where: short stacking energy: -944.534 Base-Backbone interact. energy: -1.907 local terms energy: -879.086367 where: bonds (distance) C4'-P energy: -159.136 bonds (distance) P-C4' energy: -137.981 flat angles C4'-P-C4' energy: -188.516 flat angles P-C4'-P energy: -122.075 tors. eta vs tors. theta energy: -271.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -3149.260084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.260084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.260084 (E_RNA) where: Base-Base interactions energy: -2294.688 where: short stacking energy: -895.949 Base-Backbone interact. energy: -1.227 local terms energy: -853.345192 where: bonds (distance) C4'-P energy: -147.509 bonds (distance) P-C4' energy: -159.613 flat angles C4'-P-C4' energy: -182.143 flat angles P-C4'-P energy: -112.969 tors. eta vs tors. theta energy: -251.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -2934.186473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.186473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.186473 (E_RNA) where: Base-Base interactions energy: -2166.312 where: short stacking energy: -832.835 Base-Backbone interact. energy: 3.550 local terms energy: -771.423970 where: bonds (distance) C4'-P energy: -125.698 bonds (distance) P-C4' energy: -118.998 flat angles C4'-P-C4' energy: -180.387 flat angles P-C4'-P energy: -108.345 tors. eta vs tors. theta energy: -237.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -2782.444210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.444210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.444210 (E_RNA) where: Base-Base interactions energy: -2008.801 where: short stacking energy: -774.331 Base-Backbone interact. energy: -2.826 local terms energy: -770.817171 where: bonds (distance) C4'-P energy: -113.901 bonds (distance) P-C4' energy: -138.835 flat angles C4'-P-C4' energy: -174.008 flat angles P-C4'-P energy: -120.983 tors. eta vs tors. theta energy: -223.090 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: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3824.479600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3824.479600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3824.479600 (E_RNA) where: Base-Base interactions energy: -2753.725 where: short stacking energy: -1053.713 Base-Backbone interact. energy: -2.734 local terms energy: -1068.020630 where: bonds (distance) C4'-P energy: -191.214 bonds (distance) P-C4' energy: -182.812 flat angles C4'-P-C4' energy: -221.602 flat angles P-C4'-P energy: -156.752 tors. eta vs tors. theta energy: -315.641 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: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -3810.839889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3810.839889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3810.839889 (E_RNA) where: Base-Base interactions energy: -2765.852 where: short stacking energy: -1054.120 Base-Backbone interact. energy: -0.107 local terms energy: -1044.881128 where: bonds (distance) C4'-P energy: -192.107 bonds (distance) P-C4' energy: -180.116 flat angles C4'-P-C4' energy: -211.063 flat angles P-C4'-P energy: -149.455 tors. eta vs tors. theta energy: -312.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -3684.607039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3684.607039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3684.607039 (E_RNA) where: Base-Base interactions energy: -2702.945 where: short stacking energy: -1053.985 Base-Backbone interact. energy: -2.883 local terms energy: -978.779400 where: bonds (distance) C4'-P energy: -161.917 bonds (distance) P-C4' energy: -168.230 flat angles C4'-P-C4' energy: -218.146 flat angles P-C4'-P energy: -128.619 tors. eta vs tors. theta energy: -301.867 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: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -3655.168666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3655.168666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3655.168666 (E_RNA) where: Base-Base interactions energy: -2693.800 where: short stacking energy: -1045.476 Base-Backbone interact. energy: 3.637 local terms energy: -965.005263 where: bonds (distance) C4'-P energy: -146.920 bonds (distance) P-C4' energy: -174.102 flat angles C4'-P-C4' energy: -211.502 flat angles P-C4'-P energy: -139.826 tors. eta vs tors. theta energy: -292.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -3537.974778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3537.974778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3537.974778 (E_RNA) where: Base-Base interactions energy: -2612.478 where: short stacking energy: -1029.161 Base-Backbone interact. energy: 2.626 local terms energy: -928.123187 where: bonds (distance) C4'-P energy: -152.241 bonds (distance) P-C4' energy: -160.244 flat angles C4'-P-C4' energy: -191.206 flat angles P-C4'-P energy: -144.908 tors. eta vs tors. theta energy: -279.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -3403.288887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3403.288887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3403.288887 (E_RNA) where: Base-Base interactions energy: -2478.689 where: short stacking energy: -935.758 Base-Backbone interact. energy: -2.137 local terms energy: -922.462357 where: bonds (distance) C4'-P energy: -167.304 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -205.546 flat angles P-C4'-P energy: -122.012 tors. eta vs tors. theta energy: -263.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -3341.266799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3341.266799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3341.266799 (E_RNA) where: Base-Base interactions energy: -2445.506 where: short stacking energy: -937.587 Base-Backbone interact. energy: 0.410 local terms energy: -896.171565 where: bonds (distance) C4'-P energy: -161.356 bonds (distance) P-C4' energy: -156.374 flat angles C4'-P-C4' energy: -184.384 flat angles P-C4'-P energy: -117.316 tors. eta vs tors. theta energy: -276.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -3156.966892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.966892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.966892 (E_RNA) where: Base-Base interactions energy: -2281.952 where: short stacking energy: -882.860 Base-Backbone interact. energy: -0.773 local terms energy: -874.241640 where: bonds (distance) C4'-P energy: -128.157 bonds (distance) P-C4' energy: -157.996 flat angles C4'-P-C4' energy: -201.979 flat angles P-C4'-P energy: -131.090 tors. eta vs tors. theta energy: -255.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -2930.054781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.054781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.054781 (E_RNA) where: Base-Base interactions energy: -2126.528 where: short stacking energy: -833.740 Base-Backbone interact. energy: 5.166 local terms energy: -808.692788 where: bonds (distance) C4'-P energy: -137.593 bonds (distance) P-C4' energy: -156.262 flat angles C4'-P-C4' energy: -168.637 flat angles P-C4'-P energy: -110.742 tors. eta vs tors. theta energy: -235.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -2833.608124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.608124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.608124 (E_RNA) where: Base-Base interactions energy: -2039.176 where: short stacking energy: -790.693 Base-Backbone interact. energy: -0.395 local terms energy: -794.037407 where: bonds (distance) C4'-P energy: -144.551 bonds (distance) P-C4' energy: -142.657 flat angles C4'-P-C4' energy: -172.268 flat angles P-C4'-P energy: -110.356 tors. eta vs tors. theta energy: -224.206 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: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3850.553709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3850.553709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3850.553709 (E_RNA) where: Base-Base interactions energy: -2793.929 where: short stacking energy: -1089.645 Base-Backbone interact. energy: -1.519 local terms energy: -1055.105309 where: bonds (distance) C4'-P energy: -183.277 bonds (distance) P-C4' energy: -185.830 flat angles C4'-P-C4' energy: -214.853 flat angles P-C4'-P energy: -153.369 tors. eta vs tors. theta energy: -317.776 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: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -3813.153275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3813.153275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3813.153275 (E_RNA) where: Base-Base interactions energy: -2782.946 where: short stacking energy: -1091.829 Base-Backbone interact. energy: -1.081 local terms energy: -1029.126593 where: bonds (distance) C4'-P energy: -179.229 bonds (distance) P-C4' energy: -164.665 flat angles C4'-P-C4' energy: -218.164 flat angles P-C4'-P energy: -157.666 tors. eta vs tors. theta energy: -309.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -3707.901874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3707.901874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3707.901874 (E_RNA) where: Base-Base interactions energy: -2689.807 where: short stacking energy: -1056.779 Base-Backbone interact. energy: -2.252 local terms energy: -1015.842775 where: bonds (distance) C4'-P energy: -171.618 bonds (distance) P-C4' energy: -169.826 flat angles C4'-P-C4' energy: -216.500 flat angles P-C4'-P energy: -147.609 tors. eta vs tors. theta energy: -310.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -3620.028018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3620.028018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3620.028018 (E_RNA) where: Base-Base interactions energy: -2642.909 where: short stacking energy: -1010.805 Base-Backbone interact. energy: -1.986 local terms energy: -975.133461 where: bonds (distance) C4'-P energy: -166.848 bonds (distance) P-C4' energy: -163.240 flat angles C4'-P-C4' energy: -197.331 flat angles P-C4'-P energy: -149.540 tors. eta vs tors. theta energy: -298.174 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: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -3477.959110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.959110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.959110 (E_RNA) where: Base-Base interactions energy: -2498.868 where: short stacking energy: -937.664 Base-Backbone interact. energy: -1.710 local terms energy: -977.380914 where: bonds (distance) C4'-P energy: -161.315 bonds (distance) P-C4' energy: -173.235 flat angles C4'-P-C4' energy: -216.263 flat angles P-C4'-P energy: -137.359 tors. eta vs tors. theta energy: -289.209 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: 348 Temperature: 1.150000 Total energy: -3494.333708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3494.333708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3494.333708 (E_RNA) where: Base-Base interactions energy: -2550.349 where: short stacking energy: -974.603 Base-Backbone interact. energy: -0.205 local terms energy: -943.779911 where: bonds (distance) C4'-P energy: -142.157 bonds (distance) P-C4' energy: -178.002 flat angles C4'-P-C4' energy: -202.118 flat angles P-C4'-P energy: -135.978 tors. eta vs tors. theta energy: -285.526 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: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -3332.718406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.718406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.718406 (E_RNA) where: Base-Base interactions energy: -2451.665 where: short stacking energy: -942.339 Base-Backbone interact. energy: 7.567 local terms energy: -888.620665 where: bonds (distance) C4'-P energy: -138.058 bonds (distance) P-C4' energy: -172.284 flat angles C4'-P-C4' energy: -177.698 flat angles P-C4'-P energy: -131.430 tors. eta vs tors. theta energy: -269.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -3160.539355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.539355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.539355 (E_RNA) where: Base-Base interactions energy: -2298.921 where: short stacking energy: -907.378 Base-Backbone interact. energy: 0.602 local terms energy: -862.220818 where: bonds (distance) C4'-P energy: -142.045 bonds (distance) P-C4' energy: -148.651 flat angles C4'-P-C4' energy: -182.255 flat angles P-C4'-P energy: -119.655 tors. eta vs tors. theta energy: -269.615 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: 348 Temperature: 1.300000 Total energy: -2913.826001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.826001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.826001 (E_RNA) where: Base-Base interactions energy: -2121.933 where: short stacking energy: -835.696 Base-Backbone interact. energy: -0.819 local terms energy: -791.073756 where: bonds (distance) C4'-P energy: -140.698 bonds (distance) P-C4' energy: -147.549 flat angles C4'-P-C4' energy: -173.219 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -241.889 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: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -2872.185086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.185086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.185086 (E_RNA) where: Base-Base interactions energy: -2053.865 where: short stacking energy: -806.378 Base-Backbone interact. energy: -2.008 local terms energy: -816.311884 where: bonds (distance) C4'-P energy: -136.876 bonds (distance) P-C4' energy: -156.905 flat angles C4'-P-C4' energy: -181.313 flat angles P-C4'-P energy: -113.594 tors. eta vs tors. theta energy: -227.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3835.699662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3835.699662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3835.699662 (E_RNA) where: Base-Base interactions energy: -2790.670 where: short stacking energy: -1107.047 Base-Backbone interact. energy: 2.143 local terms energy: -1047.172831 where: bonds (distance) C4'-P energy: -180.838 bonds (distance) P-C4' energy: -187.072 flat angles C4'-P-C4' energy: -223.687 flat angles P-C4'-P energy: -138.200 tors. eta vs tors. theta energy: -317.376 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: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -3817.634872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.634872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.634872 (E_RNA) where: Base-Base interactions energy: -2804.049 where: short stacking energy: -1077.547 Base-Backbone interact. energy: -1.058 local terms energy: -1012.528263 where: bonds (distance) C4'-P energy: -185.644 bonds (distance) P-C4' energy: -164.671 flat angles C4'-P-C4' energy: -215.061 flat angles P-C4'-P energy: -135.390 tors. eta vs tors. theta energy: -311.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -3678.475769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3678.475769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3678.475769 (E_RNA) where: Base-Base interactions energy: -2668.720 where: short stacking energy: -1030.008 Base-Backbone interact. energy: 2.315 local terms energy: -1012.070846 where: bonds (distance) C4'-P energy: -164.753 bonds (distance) P-C4' energy: -184.374 flat angles C4'-P-C4' energy: -213.383 flat angles P-C4'-P energy: -150.596 tors. eta vs tors. theta energy: -298.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -3633.602648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3633.602648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3633.602648 (E_RNA) where: Base-Base interactions energy: -2666.400 where: short stacking energy: -1031.764 Base-Backbone interact. energy: -2.531 local terms energy: -964.671744 where: bonds (distance) C4'-P energy: -156.925 bonds (distance) P-C4' energy: -158.425 flat angles C4'-P-C4' energy: -222.084 flat angles P-C4'-P energy: -134.889 tors. eta vs tors. theta energy: -292.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -3503.902653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3503.902653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3503.902653 (E_RNA) where: Base-Base interactions energy: -2570.076 where: short stacking energy: -990.308 Base-Backbone interact. energy: 0.736 local terms energy: -934.562769 where: bonds (distance) C4'-P energy: -167.276 bonds (distance) P-C4' energy: -149.776 flat angles C4'-P-C4' energy: -213.555 flat angles P-C4'-P energy: -114.729 tors. eta vs tors. theta energy: -289.227 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: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -3502.100373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3502.100373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3502.100373 (E_RNA) where: Base-Base interactions energy: -2547.696 where: short stacking energy: -980.973 Base-Backbone interact. energy: -3.062 local terms energy: -951.341952 where: bonds (distance) C4'-P energy: -170.082 bonds (distance) P-C4' energy: -165.682 flat angles C4'-P-C4' energy: -198.898 flat angles P-C4'-P energy: -132.534 tors. eta vs tors. theta energy: -284.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -3324.616959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.616959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.616959 (E_RNA) where: Base-Base interactions energy: -2380.387 where: short stacking energy: -926.924 Base-Backbone interact. energy: 0.286 local terms energy: -944.516189 where: bonds (distance) C4'-P energy: -155.982 bonds (distance) P-C4' energy: -180.381 flat angles C4'-P-C4' energy: -202.839 flat angles P-C4'-P energy: -119.300 tors. eta vs tors. theta energy: -286.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -3068.762344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.762344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.762344 (E_RNA) where: Base-Base interactions energy: -2191.669 where: short stacking energy: -876.499 Base-Backbone interact. energy: -0.655 local terms energy: -876.438364 where: bonds (distance) C4'-P energy: -132.387 bonds (distance) P-C4' energy: -176.618 flat angles C4'-P-C4' energy: -185.895 flat angles P-C4'-P energy: -123.671 tors. eta vs tors. theta energy: -257.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -3039.631620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.631620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.631620 (E_RNA) where: Base-Base interactions energy: -2228.655 where: short stacking energy: -858.261 Base-Backbone interact. energy: 1.351 local terms energy: -812.327255 where: bonds (distance) C4'-P energy: -134.417 bonds (distance) P-C4' energy: -144.401 flat angles C4'-P-C4' energy: -180.267 flat angles P-C4'-P energy: -109.405 tors. eta vs tors. theta energy: -243.838 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: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -2818.284503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.284503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.284503 (E_RNA) where: Base-Base interactions energy: -2014.969 where: short stacking energy: -793.773 Base-Backbone interact. energy: -2.216 local terms energy: -801.099356 where: bonds (distance) C4'-P energy: -158.745 bonds (distance) P-C4' energy: -131.537 flat angles C4'-P-C4' energy: -179.927 flat angles P-C4'-P energy: -118.204 tors. eta vs tors. theta energy: -212.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3820.505857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3820.505857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3820.505857 (E_RNA) where: Base-Base interactions energy: -2797.220 where: short stacking energy: -1090.191 Base-Backbone interact. energy: -2.133 local terms energy: -1021.153088 where: bonds (distance) C4'-P energy: -174.826 bonds (distance) P-C4' energy: -177.792 flat angles C4'-P-C4' energy: -214.622 flat angles P-C4'-P energy: -150.797 tors. eta vs tors. theta energy: -303.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -3793.648330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3793.648330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3793.648330 (E_RNA) where: Base-Base interactions energy: -2774.404 where: short stacking energy: -1075.418 Base-Backbone interact. energy: -1.742 local terms energy: -1017.501547 where: bonds (distance) C4'-P energy: -165.158 bonds (distance) P-C4' energy: -185.412 flat angles C4'-P-C4' energy: -217.454 flat angles P-C4'-P energy: -138.405 tors. eta vs tors. theta energy: -311.073 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: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -3704.382612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3704.382612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3704.382612 (E_RNA) where: Base-Base interactions energy: -2705.092 where: short stacking energy: -1061.048 Base-Backbone interact. energy: -1.269 local terms energy: -998.021152 where: bonds (distance) C4'-P energy: -180.341 bonds (distance) P-C4' energy: -167.129 flat angles C4'-P-C4' energy: -215.474 flat angles P-C4'-P energy: -122.517 tors. eta vs tors. theta energy: -312.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -3625.286258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.286258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.286258 (E_RNA) where: Base-Base interactions energy: -2668.653 where: short stacking energy: -1033.057 Base-Backbone interact. energy: -4.107 local terms energy: -952.526347 where: bonds (distance) C4'-P energy: -148.153 bonds (distance) P-C4' energy: -154.089 flat angles C4'-P-C4' energy: -219.200 flat angles P-C4'-P energy: -131.044 tors. eta vs tors. theta energy: -300.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -3487.469184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.469184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.469184 (E_RNA) where: Base-Base interactions energy: -2525.708 where: short stacking energy: -984.443 Base-Backbone interact. energy: 3.901 local terms energy: -965.661537 where: bonds (distance) C4'-P energy: -174.658 bonds (distance) P-C4' energy: -166.997 flat angles C4'-P-C4' energy: -195.366 flat angles P-C4'-P energy: -130.090 tors. eta vs tors. theta energy: -298.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -3455.503662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3455.503662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3455.503662 (E_RNA) where: Base-Base interactions energy: -2544.777 where: short stacking energy: -972.924 Base-Backbone interact. energy: -1.295 local terms energy: -909.431564 where: bonds (distance) C4'-P energy: -162.085 bonds (distance) P-C4' energy: -127.844 flat angles C4'-P-C4' energy: -207.082 flat angles P-C4'-P energy: -129.941 tors. eta vs tors. theta energy: -282.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -3297.732915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.732915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.732915 (E_RNA) where: Base-Base interactions energy: -2378.787 where: short stacking energy: -917.812 Base-Backbone interact. energy: 1.136 local terms energy: -920.081981 where: bonds (distance) C4'-P energy: -133.632 bonds (distance) P-C4' energy: -163.751 flat angles C4'-P-C4' energy: -200.423 flat angles P-C4'-P energy: -143.400 tors. eta vs tors. theta energy: -278.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -3171.249005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.249005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.249005 (E_RNA) where: Base-Base interactions energy: -2269.608 where: short stacking energy: -883.841 Base-Backbone interact. energy: -0.189 local terms energy: -901.452597 where: bonds (distance) C4'-P energy: -151.354 bonds (distance) P-C4' energy: -165.625 flat angles C4'-P-C4' energy: -185.671 flat angles P-C4'-P energy: -117.716 tors. eta vs tors. theta energy: -281.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -3077.277610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.277610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.277610 (E_RNA) where: Base-Base interactions energy: -2224.496 where: short stacking energy: -871.443 Base-Backbone interact. energy: -3.215 local terms energy: -849.566650 where: bonds (distance) C4'-P energy: -120.600 bonds (distance) P-C4' energy: -140.946 flat angles C4'-P-C4' energy: -205.691 flat angles P-C4'-P energy: -120.239 tors. eta vs tors. theta energy: -262.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -2877.589900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.589900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.589900 (E_RNA) where: Base-Base interactions energy: -2020.743 where: short stacking energy: -800.203 Base-Backbone interact. energy: 0.474 local terms energy: -857.321647 where: bonds (distance) C4'-P energy: -171.162 bonds (distance) P-C4' energy: -130.480 flat angles C4'-P-C4' energy: -188.587 flat angles P-C4'-P energy: -121.132 tors. eta vs tors. theta energy: -245.962 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: 351 Temperature: 0.900000 Total energy: -3817.041174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.041174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.041174 (E_RNA) where: Base-Base interactions energy: -2737.559 where: short stacking energy: -1054.635 Base-Backbone interact. energy: -0.982 local terms energy: -1078.499474 where: bonds (distance) C4'-P energy: -194.465 bonds (distance) P-C4' energy: -190.228 flat angles C4'-P-C4' energy: -224.462 flat angles P-C4'-P energy: -160.901 tors. eta vs tors. theta energy: -308.444 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: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -3814.905119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3814.905119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3814.905119 (E_RNA) where: Base-Base interactions energy: -2794.375 where: short stacking energy: -1083.138 Base-Backbone interact. energy: 1.919 local terms energy: -1022.448883 where: bonds (distance) C4'-P energy: -171.450 bonds (distance) P-C4' energy: -176.741 flat angles C4'-P-C4' energy: -215.424 flat angles P-C4'-P energy: -149.748 tors. eta vs tors. theta energy: -309.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -3701.582475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3701.582475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3701.582475 (E_RNA) where: Base-Base interactions energy: -2699.655 where: short stacking energy: -1047.849 Base-Backbone interact. energy: -0.862 local terms energy: -1001.065791 where: bonds (distance) C4'-P energy: -177.942 bonds (distance) P-C4' energy: -156.485 flat angles C4'-P-C4' energy: -212.467 flat angles P-C4'-P energy: -143.536 tors. eta vs tors. theta energy: -310.635 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: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -3619.181976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3619.181976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3619.181976 (E_RNA) where: Base-Base interactions energy: -2671.411 where: short stacking energy: -1007.174 Base-Backbone interact. energy: -1.940 local terms energy: -945.830747 where: bonds (distance) C4'-P energy: -166.056 bonds (distance) P-C4' energy: -169.572 flat angles C4'-P-C4' energy: -213.192 flat angles P-C4'-P energy: -108.952 tors. eta vs tors. theta energy: -288.060 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: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -3519.680996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3519.680996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3519.680996 (E_RNA) where: Base-Base interactions energy: -2539.381 where: short stacking energy: -993.945 Base-Backbone interact. energy: 0.201 local terms energy: -980.500682 where: bonds (distance) C4'-P energy: -175.734 bonds (distance) P-C4' energy: -158.741 flat angles C4'-P-C4' energy: -213.415 flat angles P-C4'-P energy: -146.737 tors. eta vs tors. theta energy: -285.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -3447.351952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3447.351952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3447.351952 (E_RNA) where: Base-Base interactions energy: -2546.293 where: short stacking energy: -975.740 Base-Backbone interact. energy: 2.924 local terms energy: -903.982856 where: bonds (distance) C4'-P energy: -144.925 bonds (distance) P-C4' energy: -159.687 flat angles C4'-P-C4' energy: -193.294 flat angles P-C4'-P energy: -135.706 tors. eta vs tors. theta energy: -270.370 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: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -3358.990901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3358.990901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3358.990901 (E_RNA) where: Base-Base interactions energy: -2442.623 where: short stacking energy: -936.721 Base-Backbone interact. energy: -2.268 local terms energy: -914.099994 where: bonds (distance) C4'-P energy: -164.170 bonds (distance) P-C4' energy: -162.965 flat angles C4'-P-C4' energy: -191.617 flat angles P-C4'-P energy: -114.577 tors. eta vs tors. theta energy: -280.771 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: 6 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -3196.667366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.667366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.667366 (E_RNA) where: Base-Base interactions energy: -2355.728 where: short stacking energy: -896.761 Base-Backbone interact. energy: 6.268 local terms energy: -847.206654 where: bonds (distance) C4'-P energy: -136.287 bonds (distance) P-C4' energy: -156.041 flat angles C4'-P-C4' energy: -176.478 flat angles P-C4'-P energy: -118.523 tors. eta vs tors. theta energy: -259.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -3063.767272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.767272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.767272 (E_RNA) where: Base-Base interactions energy: -2208.841 where: short stacking energy: -877.318 Base-Backbone interact. energy: 1.177 local terms energy: -856.103389 where: bonds (distance) C4'-P energy: -140.349 bonds (distance) P-C4' energy: -136.292 flat angles C4'-P-C4' energy: -199.514 flat angles P-C4'-P energy: -117.495 tors. eta vs tors. theta energy: -262.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -2813.814857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.814857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.814857 (E_RNA) where: Base-Base interactions energy: -2025.507 where: short stacking energy: -793.445 Base-Backbone interact. energy: 2.736 local terms energy: -791.043339 where: bonds (distance) C4'-P energy: -141.918 bonds (distance) P-C4' energy: -128.881 flat angles C4'-P-C4' energy: -164.576 flat angles P-C4'-P energy: -119.495 tors. eta vs tors. theta energy: -236.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3844.298338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3844.298338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3844.298338 (E_RNA) where: Base-Base interactions energy: -2790.049 where: short stacking energy: -1082.692 Base-Backbone interact. energy: -1.752 local terms energy: -1052.497685 where: bonds (distance) C4'-P energy: -194.067 bonds (distance) P-C4' energy: -180.384 flat angles C4'-P-C4' energy: -219.062 flat angles P-C4'-P energy: -159.116 tors. eta vs tors. theta energy: -299.869 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: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -3796.079528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3796.079528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3796.079528 (E_RNA) where: Base-Base interactions energy: -2761.869 where: short stacking energy: -1070.927 Base-Backbone interact. energy: 0.128 local terms energy: -1034.339055 where: bonds (distance) C4'-P energy: -175.335 bonds (distance) P-C4' energy: -194.140 flat angles C4'-P-C4' energy: -216.091 flat angles P-C4'-P energy: -145.551 tors. eta vs tors. theta energy: -303.222 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: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -3674.833840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3674.833840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3674.833840 (E_RNA) where: Base-Base interactions energy: -2684.402 where: short stacking energy: -1068.106 Base-Backbone interact. energy: -3.011 local terms energy: -987.420391 where: bonds (distance) C4'-P energy: -194.762 bonds (distance) P-C4' energy: -161.302 flat angles C4'-P-C4' energy: -200.766 flat angles P-C4'-P energy: -138.211 tors. eta vs tors. theta energy: -292.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -3624.535430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3624.535430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3624.535430 (E_RNA) where: Base-Base interactions energy: -2661.426 where: short stacking energy: -1008.951 Base-Backbone interact. energy: -4.340 local terms energy: -958.769585 where: bonds (distance) C4'-P energy: -168.549 bonds (distance) P-C4' energy: -175.340 flat angles C4'-P-C4' energy: -200.558 flat angles P-C4'-P energy: -127.332 tors. eta vs tors. theta energy: -286.990 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: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -3495.147229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3495.147229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3495.147229 (E_RNA) where: Base-Base interactions energy: -2537.324 where: short stacking energy: -968.631 Base-Backbone interact. energy: -0.629 local terms energy: -957.194477 where: bonds (distance) C4'-P energy: -164.173 bonds (distance) P-C4' energy: -161.239 flat angles C4'-P-C4' energy: -206.086 flat angles P-C4'-P energy: -128.686 tors. eta vs tors. theta energy: -297.010 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: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -3444.610186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.610186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.610186 (E_RNA) where: Base-Base interactions energy: -2535.706 where: short stacking energy: -978.893 Base-Backbone interact. energy: 1.325 local terms energy: -910.228617 where: bonds (distance) C4'-P energy: -162.969 bonds (distance) P-C4' energy: -145.595 flat angles C4'-P-C4' energy: -192.239 flat angles P-C4'-P energy: -130.084 tors. eta vs tors. theta energy: -279.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -3337.045546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.045546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.045546 (E_RNA) where: Base-Base interactions energy: -2455.974 where: short stacking energy: -958.472 Base-Backbone interact. energy: -1.398 local terms energy: -879.673272 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -139.400 flat angles C4'-P-C4' energy: -196.071 flat angles P-C4'-P energy: -120.008 tors. eta vs tors. theta energy: -289.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -3149.531859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.531859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.531859 (E_RNA) where: Base-Base interactions energy: -2291.369 where: short stacking energy: -893.512 Base-Backbone interact. energy: 1.682 local terms energy: -859.844784 where: bonds (distance) C4'-P energy: -157.378 bonds (distance) P-C4' energy: -139.463 flat angles C4'-P-C4' energy: -190.789 flat angles P-C4'-P energy: -113.852 tors. eta vs tors. theta energy: -258.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -2970.890395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.890395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.890395 (E_RNA) where: Base-Base interactions energy: -2128.890 where: short stacking energy: -814.812 Base-Backbone interact. energy: 0.823 local terms energy: -842.824202 where: bonds (distance) C4'-P energy: -158.613 bonds (distance) P-C4' energy: -151.696 flat angles C4'-P-C4' energy: -169.489 flat angles P-C4'-P energy: -127.166 tors. eta vs tors. theta energy: -235.860 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: 352 Temperature: 1.350000 Total energy: -2841.221574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.221574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.221574 (E_RNA) where: Base-Base interactions energy: -2066.871 where: short stacking energy: -820.303 Base-Backbone interact. energy: 0.797 local terms energy: -775.147809 where: bonds (distance) C4'-P energy: -114.911 bonds (distance) P-C4' energy: -160.267 flat angles C4'-P-C4' energy: -161.508 flat angles P-C4'-P energy: -109.469 tors. eta vs tors. theta energy: -228.993 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: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3825.845320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.845320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.845320 (E_RNA) where: Base-Base interactions energy: -2782.753 where: short stacking energy: -1060.971 Base-Backbone interact. energy: 3.227 local terms energy: -1046.319799 where: bonds (distance) C4'-P energy: -186.066 bonds (distance) P-C4' energy: -180.333 flat angles C4'-P-C4' energy: -220.937 flat angles P-C4'-P energy: -147.283 tors. eta vs tors. theta energy: -311.701 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: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -3824.150288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3824.150288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3824.150288 (E_RNA) where: Base-Base interactions energy: -2766.265 where: short stacking energy: -1060.102 Base-Backbone interact. energy: 0.580 local terms energy: -1058.465493 where: bonds (distance) C4'-P energy: -191.690 bonds (distance) P-C4' energy: -190.017 flat angles C4'-P-C4' energy: -211.081 flat angles P-C4'-P energy: -149.323 tors. eta vs tors. theta energy: -316.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -3688.138821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3688.138821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3688.138821 (E_RNA) where: Base-Base interactions energy: -2684.316 where: short stacking energy: -1048.658 Base-Backbone interact. energy: 3.368 local terms energy: -1007.191137 where: bonds (distance) C4'-P energy: -167.460 bonds (distance) P-C4' energy: -171.257 flat angles C4'-P-C4' energy: -210.989 flat angles P-C4'-P energy: -159.318 tors. eta vs tors. theta energy: -298.167 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: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -3604.797277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.797277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3604.797277 (E_RNA) where: Base-Base interactions energy: -2655.441 where: short stacking energy: -1033.569 Base-Backbone interact. energy: 10.561 local terms energy: -959.917598 where: bonds (distance) C4'-P energy: -157.837 bonds (distance) P-C4' energy: -161.391 flat angles C4'-P-C4' energy: -206.438 flat angles P-C4'-P energy: -149.228 tors. eta vs tors. theta energy: -285.024 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: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -3531.414064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3531.414064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3531.414064 (E_RNA) where: Base-Base interactions energy: -2572.655 where: short stacking energy: -989.980 Base-Backbone interact. energy: 1.410 local terms energy: -960.168599 where: bonds (distance) C4'-P energy: -160.963 bonds (distance) P-C4' energy: -157.847 flat angles C4'-P-C4' energy: -213.569 flat angles P-C4'-P energy: -133.191 tors. eta vs tors. theta energy: -294.599 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: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -3495.484889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3495.484889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3495.484889 (E_RNA) where: Base-Base interactions energy: -2557.406 where: short stacking energy: -956.341 Base-Backbone interact. energy: -2.168 local terms energy: -935.910502 where: bonds (distance) C4'-P energy: -171.001 bonds (distance) P-C4' energy: -164.097 flat angles C4'-P-C4' energy: -198.075 flat angles P-C4'-P energy: -131.076 tors. eta vs tors. theta energy: -271.662 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: 9 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -3360.462282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3360.462282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3360.462282 (E_RNA) where: Base-Base interactions energy: -2446.710 where: short stacking energy: -919.591 Base-Backbone interact. energy: 0.758 local terms energy: -914.510746 where: bonds (distance) C4'-P energy: -153.733 bonds (distance) P-C4' energy: -159.059 flat angles C4'-P-C4' energy: -182.211 flat angles P-C4'-P energy: -149.336 tors. eta vs tors. theta energy: -270.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -3157.757467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.757467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.757467 (E_RNA) where: Base-Base interactions energy: -2289.181 where: short stacking energy: -880.446 Base-Backbone interact. energy: -0.175 local terms energy: -868.401523 where: bonds (distance) C4'-P energy: -140.117 bonds (distance) P-C4' energy: -155.346 flat angles C4'-P-C4' energy: -187.879 flat angles P-C4'-P energy: -123.357 tors. eta vs tors. theta energy: -261.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -2982.911265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.911265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.911265 (E_RNA) where: Base-Base interactions energy: -2140.479 where: short stacking energy: -834.175 Base-Backbone interact. energy: -1.069 local terms energy: -841.362880 where: bonds (distance) C4'-P energy: -158.388 bonds (distance) P-C4' energy: -128.553 flat angles C4'-P-C4' energy: -190.360 flat angles P-C4'-P energy: -111.574 tors. eta vs tors. theta energy: -252.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -2804.498115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.498115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.498115 (E_RNA) where: Base-Base interactions energy: -1989.078 where: short stacking energy: -758.834 Base-Backbone interact. energy: -1.003 local terms energy: -814.417096 where: bonds (distance) C4'-P energy: -163.727 bonds (distance) P-C4' energy: -151.905 flat angles C4'-P-C4' energy: -168.254 flat angles P-C4'-P energy: -104.446 tors. eta vs tors. theta energy: -226.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3820.509869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3820.509869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3820.509869 (E_RNA) where: Base-Base interactions energy: -2786.655 where: short stacking energy: -1088.682 Base-Backbone interact. energy: 2.759 local terms energy: -1036.614746 where: bonds (distance) C4'-P energy: -175.135 bonds (distance) P-C4' energy: -191.657 flat angles C4'-P-C4' energy: -221.443 flat angles P-C4'-P energy: -135.952 tors. eta vs tors. theta energy: -312.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -3805.850717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3805.850717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3805.850717 (E_RNA) where: Base-Base interactions energy: -2770.567 where: short stacking energy: -1065.232 Base-Backbone interact. energy: 0.359 local terms energy: -1035.642286 where: bonds (distance) C4'-P energy: -187.636 bonds (distance) P-C4' energy: -177.210 flat angles C4'-P-C4' energy: -218.924 flat angles P-C4'-P energy: -137.853 tors. eta vs tors. theta energy: -314.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -3672.403609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3672.403609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3672.403609 (E_RNA) where: Base-Base interactions energy: -2680.944 where: short stacking energy: -1032.689 Base-Backbone interact. energy: 2.423 local terms energy: -993.882677 where: bonds (distance) C4'-P energy: -174.579 bonds (distance) P-C4' energy: -170.281 flat angles C4'-P-C4' energy: -200.998 flat angles P-C4'-P energy: -147.876 tors. eta vs tors. theta energy: -300.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -3639.992475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3639.992475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3639.992475 (E_RNA) where: Base-Base interactions energy: -2642.723 where: short stacking energy: -1016.016 Base-Backbone interact. energy: 5.176 local terms energy: -1002.445087 where: bonds (distance) C4'-P energy: -161.794 bonds (distance) P-C4' energy: -190.629 flat angles C4'-P-C4' energy: -215.427 flat angles P-C4'-P energy: -143.079 tors. eta vs tors. theta energy: -291.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -3527.697933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3527.697933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3527.697933 (E_RNA) where: Base-Base interactions energy: -2598.675 where: short stacking energy: -992.560 Base-Backbone interact. energy: 0.748 local terms energy: -929.771103 where: bonds (distance) C4'-P energy: -148.417 bonds (distance) P-C4' energy: -162.024 flat angles C4'-P-C4' energy: -196.803 flat angles P-C4'-P energy: -132.422 tors. eta vs tors. theta energy: -290.105 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: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -3469.389171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.389171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.389171 (E_RNA) where: Base-Base interactions energy: -2542.484 where: short stacking energy: -961.994 Base-Backbone interact. energy: 1.980 local terms energy: -928.884742 where: bonds (distance) C4'-P energy: -146.993 bonds (distance) P-C4' energy: -174.073 flat angles C4'-P-C4' energy: -197.356 flat angles P-C4'-P energy: -124.661 tors. eta vs tors. theta energy: -285.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -3323.111400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.111400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.111400 (E_RNA) where: Base-Base interactions energy: -2422.367 where: short stacking energy: -943.898 Base-Backbone interact. energy: 3.189 local terms energy: -903.933282 where: bonds (distance) C4'-P energy: -141.807 bonds (distance) P-C4' energy: -154.937 flat angles C4'-P-C4' energy: -190.222 flat angles P-C4'-P energy: -136.396 tors. eta vs tors. theta energy: -280.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -3178.245786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.245786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.245786 (E_RNA) where: Base-Base interactions energy: -2312.327 where: short stacking energy: -897.101 Base-Backbone interact. energy: 2.175 local terms energy: -868.093627 where: bonds (distance) C4'-P energy: -153.177 bonds (distance) P-C4' energy: -135.375 flat angles C4'-P-C4' energy: -187.001 flat angles P-C4'-P energy: -129.134 tors. eta vs tors. theta energy: -263.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -2988.754136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.754136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.754136 (E_RNA) where: Base-Base interactions energy: -2151.821 where: short stacking energy: -829.625 Base-Backbone interact. energy: -0.616 local terms energy: -836.317331 where: bonds (distance) C4'-P energy: -159.271 bonds (distance) P-C4' energy: -141.353 flat angles C4'-P-C4' energy: -186.084 flat angles P-C4'-P energy: -112.988 tors. eta vs tors. theta energy: -236.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -2789.636826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.636826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.636826 (E_RNA) where: Base-Base interactions energy: -2038.550 where: short stacking energy: -770.598 Base-Backbone interact. energy: 1.661 local terms energy: -752.748061 where: bonds (distance) C4'-P energy: -123.458 bonds (distance) P-C4' energy: -123.760 flat angles C4'-P-C4' energy: -179.701 flat angles P-C4'-P energy: -110.273 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: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3842.168481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3842.168481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3842.168481 (E_RNA) where: Base-Base interactions energy: -2814.662 where: short stacking energy: -1083.767 Base-Backbone interact. energy: -2.079 local terms energy: -1025.427679 where: bonds (distance) C4'-P energy: -175.584 bonds (distance) P-C4' energy: -181.674 flat angles C4'-P-C4' energy: -216.883 flat angles P-C4'-P energy: -139.499 tors. eta vs tors. theta energy: -311.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3822.628101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3822.628101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3822.628101 (E_RNA) where: Base-Base interactions energy: -2776.261 where: short stacking energy: -1068.297 Base-Backbone interact. energy: 1.956 local terms energy: -1048.322712 where: bonds (distance) C4'-P energy: -190.015 bonds (distance) P-C4' energy: -187.713 flat angles C4'-P-C4' energy: -212.497 flat angles P-C4'-P energy: -153.615 tors. eta vs tors. theta energy: -304.482 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: 355 Temperature: 1.000000 Total energy: -3699.187852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3699.187852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3699.187852 (E_RNA) where: Base-Base interactions energy: -2701.817 where: short stacking energy: -1068.205 Base-Backbone interact. energy: -2.884 local terms energy: -994.487132 where: bonds (distance) C4'-P energy: -173.899 bonds (distance) P-C4' energy: -169.497 flat angles C4'-P-C4' energy: -214.758 flat angles P-C4'-P energy: -137.879 tors. eta vs tors. theta energy: -298.454 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: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -3613.694119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3613.694119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3613.694119 (E_RNA) where: Base-Base interactions energy: -2636.437 where: short stacking energy: -1030.687 Base-Backbone interact. energy: 6.220 local terms energy: -983.477084 where: bonds (distance) C4'-P energy: -159.555 bonds (distance) P-C4' energy: -174.486 flat angles C4'-P-C4' energy: -209.097 flat angles P-C4'-P energy: -140.197 tors. eta vs tors. theta energy: -300.143 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: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -3493.741825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3493.741825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3493.741825 (E_RNA) where: Base-Base interactions energy: -2525.322 where: short stacking energy: -981.531 Base-Backbone interact. energy: -0.073 local terms energy: -968.345997 where: bonds (distance) C4'-P energy: -170.048 bonds (distance) P-C4' energy: -174.629 flat angles C4'-P-C4' energy: -213.110 flat angles P-C4'-P energy: -125.960 tors. eta vs tors. theta energy: -284.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -3488.419537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.419537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.419537 (E_RNA) where: Base-Base interactions energy: -2589.966 where: short stacking energy: -978.247 Base-Backbone interact. energy: 0.381 local terms energy: -898.834315 where: bonds (distance) C4'-P energy: -154.538 bonds (distance) P-C4' energy: -156.199 flat angles C4'-P-C4' energy: -186.262 flat angles P-C4'-P energy: -123.162 tors. eta vs tors. theta energy: -278.674 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: 9 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -3341.046009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3341.046009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3341.046009 (E_RNA) where: Base-Base interactions energy: -2435.960 where: short stacking energy: -950.769 Base-Backbone interact. energy: 1.895 local terms energy: -906.980931 where: bonds (distance) C4'-P energy: -156.304 bonds (distance) P-C4' energy: -140.470 flat angles C4'-P-C4' energy: -200.578 flat angles P-C4'-P energy: -134.474 tors. eta vs tors. theta energy: -275.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -3163.379898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.379898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.379898 (E_RNA) where: Base-Base interactions energy: -2303.479 where: short stacking energy: -868.064 Base-Backbone interact. energy: 1.213 local terms energy: -861.113694 where: bonds (distance) C4'-P energy: -123.756 bonds (distance) P-C4' energy: -169.568 flat angles C4'-P-C4' energy: -183.648 flat angles P-C4'-P energy: -114.174 tors. eta vs tors. theta energy: -269.967 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: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -2950.529540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.529540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.529540 (E_RNA) where: Base-Base interactions energy: -2136.589 where: short stacking energy: -842.588 Base-Backbone interact. energy: -2.240 local terms energy: -811.700184 where: bonds (distance) C4'-P energy: -120.348 bonds (distance) P-C4' energy: -146.598 flat angles C4'-P-C4' energy: -169.690 flat angles P-C4'-P energy: -131.771 tors. eta vs tors. theta energy: -243.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -2756.743620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.743620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.743620 (E_RNA) where: Base-Base interactions energy: -1971.305 where: short stacking energy: -781.395 Base-Backbone interact. energy: -0.314 local terms energy: -785.123963 where: bonds (distance) C4'-P energy: -128.001 bonds (distance) P-C4' energy: -143.880 flat angles C4'-P-C4' energy: -186.675 flat angles P-C4'-P energy: -103.820 tors. eta vs tors. theta energy: -222.748 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: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3837.025105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3837.025105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3837.025105 (E_RNA) where: Base-Base interactions energy: -2793.216 where: short stacking energy: -1061.112 Base-Backbone interact. energy: -1.500 local terms energy: -1042.309151 where: bonds (distance) C4'-P energy: -185.904 bonds (distance) P-C4' energy: -177.550 flat angles C4'-P-C4' energy: -213.851 flat angles P-C4'-P energy: -159.471 tors. eta vs tors. theta energy: -305.532 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: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3744.355341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3744.355341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3744.355341 (E_RNA) where: Base-Base interactions energy: -2735.527 where: short stacking energy: -1054.246 Base-Backbone interact. energy: 1.504 local terms energy: -1010.331961 where: bonds (distance) C4'-P energy: -182.838 bonds (distance) P-C4' energy: -187.807 flat angles C4'-P-C4' energy: -209.877 flat angles P-C4'-P energy: -128.262 tors. eta vs tors. theta energy: -301.548 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: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -3683.689983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3683.689983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3683.689983 (E_RNA) where: Base-Base interactions energy: -2675.123 where: short stacking energy: -1037.640 Base-Backbone interact. energy: 2.346 local terms energy: -1010.912821 where: bonds (distance) C4'-P energy: -169.186 bonds (distance) P-C4' energy: -172.628 flat angles C4'-P-C4' energy: -220.554 flat angles P-C4'-P energy: -143.770 tors. eta vs tors. theta energy: -304.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -3614.869516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.869516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.869516 (E_RNA) where: Base-Base interactions energy: -2633.921 where: short stacking energy: -1002.530 Base-Backbone interact. energy: -2.114 local terms energy: -978.834291 where: bonds (distance) C4'-P energy: -162.138 bonds (distance) P-C4' energy: -169.993 flat angles C4'-P-C4' energy: -206.495 flat angles P-C4'-P energy: -146.779 tors. eta vs tors. theta energy: -293.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -3565.452471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3565.452471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3565.452471 (E_RNA) where: Base-Base interactions energy: -2598.180 where: short stacking energy: -1006.286 Base-Backbone interact. energy: 2.146 local terms energy: -969.418285 where: bonds (distance) C4'-P energy: -154.105 bonds (distance) P-C4' energy: -174.712 flat angles C4'-P-C4' energy: -197.623 flat angles P-C4'-P energy: -152.185 tors. eta vs tors. theta energy: -290.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -3423.503030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3423.503030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3423.503030 (E_RNA) where: Base-Base interactions energy: -2512.293 where: short stacking energy: -965.162 Base-Backbone interact. energy: 4.083 local terms energy: -915.292926 where: bonds (distance) C4'-P energy: -143.822 bonds (distance) P-C4' energy: -144.458 flat angles C4'-P-C4' energy: -207.339 flat angles P-C4'-P energy: -145.756 tors. eta vs tors. theta energy: -273.918 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: 7, replica: 9 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -3284.127109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.127109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.127109 (E_RNA) where: Base-Base interactions energy: -2398.728 where: short stacking energy: -917.911 Base-Backbone interact. energy: -0.034 local terms energy: -885.364949 where: bonds (distance) C4'-P energy: -129.852 bonds (distance) P-C4' energy: -187.153 flat angles C4'-P-C4' energy: -171.300 flat angles P-C4'-P energy: -132.685 tors. eta vs tors. theta energy: -264.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -3165.585138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.585138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.585138 (E_RNA) where: Base-Base interactions energy: -2323.052 where: short stacking energy: -890.471 Base-Backbone interact. energy: 7.725 local terms energy: -850.257519 where: bonds (distance) C4'-P energy: -158.600 bonds (distance) P-C4' energy: -146.480 flat angles C4'-P-C4' energy: -180.308 flat angles P-C4'-P energy: -110.298 tors. eta vs tors. theta energy: -254.570 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: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -2961.957472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.957472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.957472 (E_RNA) where: Base-Base interactions energy: -2146.980 where: short stacking energy: -843.161 Base-Backbone interact. energy: -1.097 local terms energy: -813.880923 where: bonds (distance) C4'-P energy: -162.829 bonds (distance) P-C4' energy: -156.553 flat angles C4'-P-C4' energy: -174.009 flat angles P-C4'-P energy: -89.915 tors. eta vs tors. theta energy: -230.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -2768.626914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.626914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.626914 (E_RNA) where: Base-Base interactions energy: -1984.115 where: short stacking energy: -771.175 Base-Backbone interact. energy: 5.280 local terms energy: -789.791364 where: bonds (distance) C4'-P energy: -131.918 bonds (distance) P-C4' energy: -144.300 flat angles C4'-P-C4' energy: -179.489 flat angles P-C4'-P energy: -119.838 tors. eta vs tors. theta energy: -214.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3848.766775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3848.766775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3848.766775 (E_RNA) where: Base-Base interactions energy: -2788.658 where: short stacking energy: -1052.560 Base-Backbone interact. energy: 0.298 local terms energy: -1060.406780 where: bonds (distance) C4'-P energy: -184.654 bonds (distance) P-C4' energy: -185.075 flat angles C4'-P-C4' energy: -229.551 flat angles P-C4'-P energy: -157.964 tors. eta vs tors. theta energy: -303.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3776.349277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3776.349277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3776.349277 (E_RNA) where: Base-Base interactions energy: -2761.225 where: short stacking energy: -1060.029 Base-Backbone interact. energy: 0.544 local terms energy: -1015.668787 where: bonds (distance) C4'-P energy: -163.614 bonds (distance) P-C4' energy: -186.912 flat angles C4'-P-C4' energy: -217.399 flat angles P-C4'-P energy: -141.216 tors. eta vs tors. theta energy: -306.528 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: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -3658.554999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3658.554999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3658.554999 (E_RNA) where: Base-Base interactions energy: -2676.122 where: short stacking energy: -1010.993 Base-Backbone interact. energy: 2.669 local terms energy: -985.101771 where: bonds (distance) C4'-P energy: -177.926 bonds (distance) P-C4' energy: -153.602 flat angles C4'-P-C4' energy: -206.367 flat angles P-C4'-P energy: -151.989 tors. eta vs tors. theta energy: -295.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -3637.284370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3637.284370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3637.284370 (E_RNA) where: Base-Base interactions energy: -2679.269 where: short stacking energy: -1030.500 Base-Backbone interact. energy: 3.630 local terms energy: -961.644963 where: bonds (distance) C4'-P energy: -160.928 bonds (distance) P-C4' energy: -159.772 flat angles C4'-P-C4' energy: -203.298 flat angles P-C4'-P energy: -142.369 tors. eta vs tors. theta energy: -295.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -3565.628602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3565.628602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3565.628602 (E_RNA) where: Base-Base interactions energy: -2611.712 where: short stacking energy: -1008.836 Base-Backbone interact. energy: -0.535 local terms energy: -953.382188 where: bonds (distance) C4'-P energy: -165.158 bonds (distance) P-C4' energy: -169.040 flat angles C4'-P-C4' energy: -202.106 flat angles P-C4'-P energy: -133.094 tors. eta vs tors. theta energy: -283.984 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: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -3450.511082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.511082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.511082 (E_RNA) where: Base-Base interactions energy: -2506.421 where: short stacking energy: -978.975 Base-Backbone interact. energy: 1.577 local terms energy: -945.666936 where: bonds (distance) C4'-P energy: -166.722 bonds (distance) P-C4' energy: -156.512 flat angles C4'-P-C4' energy: -206.910 flat angles P-C4'-P energy: -131.901 tors. eta vs tors. theta energy: -283.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -3342.100036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3342.100036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3342.100036 (E_RNA) where: Base-Base interactions energy: -2441.864 where: short stacking energy: -947.319 Base-Backbone interact. energy: -3.433 local terms energy: -896.802604 where: bonds (distance) C4'-P energy: -146.137 bonds (distance) P-C4' energy: -156.382 flat angles C4'-P-C4' energy: -192.498 flat angles P-C4'-P energy: -128.799 tors. eta vs tors. theta energy: -272.986 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: 8, replica: 6 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -3231.395974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.395974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.395974 (E_RNA) where: Base-Base interactions energy: -2342.985 where: short stacking energy: -930.699 Base-Backbone interact. energy: -2.453 local terms energy: -885.957381 where: bonds (distance) C4'-P energy: -141.447 bonds (distance) P-C4' energy: -157.626 flat angles C4'-P-C4' energy: -200.873 flat angles P-C4'-P energy: -112.524 tors. eta vs tors. theta energy: -273.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -2890.746667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.746667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.746667 (E_RNA) where: Base-Base interactions energy: -2093.214 where: short stacking energy: -808.528 Base-Backbone interact. energy: -0.410 local terms energy: -797.122013 where: bonds (distance) C4'-P energy: -131.808 bonds (distance) P-C4' energy: -146.289 flat angles C4'-P-C4' energy: -172.609 flat angles P-C4'-P energy: -119.579 tors. eta vs tors. theta energy: -226.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -2796.740400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.740400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.740400 (E_RNA) where: Base-Base interactions energy: -1990.908 where: short stacking energy: -775.593 Base-Backbone interact. energy: -2.706 local terms energy: -803.126420 where: bonds (distance) C4'-P energy: -139.879 bonds (distance) P-C4' energy: -151.230 flat angles C4'-P-C4' energy: -170.038 flat angles P-C4'-P energy: -119.242 tors. eta vs tors. theta energy: -222.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3847.062554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3847.062554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3847.062554 (E_RNA) where: Base-Base interactions energy: -2826.438 where: short stacking energy: -1065.094 Base-Backbone interact. energy: -3.628 local terms energy: -1016.996839 where: bonds (distance) C4'-P energy: -167.629 bonds (distance) P-C4' energy: -184.053 flat angles C4'-P-C4' energy: -207.717 flat angles P-C4'-P energy: -151.239 tors. eta vs tors. theta energy: -306.359 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: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -3753.093469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3753.093469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3753.093469 (E_RNA) where: Base-Base interactions energy: -2739.310 where: short stacking energy: -1062.898 Base-Backbone interact. energy: -3.553 local terms energy: -1010.230569 where: bonds (distance) C4'-P energy: -168.853 bonds (distance) P-C4' energy: -181.225 flat angles C4'-P-C4' energy: -221.125 flat angles P-C4'-P energy: -126.108 tors. eta vs tors. theta energy: -312.920 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: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -3666.321684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3666.321684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3666.321684 (E_RNA) where: Base-Base interactions energy: -2654.970 where: short stacking energy: -1021.488 Base-Backbone interact. energy: 4.457 local terms energy: -1015.808992 where: bonds (distance) C4'-P energy: -180.129 bonds (distance) P-C4' energy: -169.858 flat angles C4'-P-C4' energy: -200.977 flat angles P-C4'-P energy: -162.653 tors. eta vs tors. theta energy: -302.191 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: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -3615.535921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3615.535921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3615.535921 (E_RNA) where: Base-Base interactions energy: -2622.570 where: short stacking energy: -1012.407 Base-Backbone interact. energy: 1.602 local terms energy: -994.568382 where: bonds (distance) C4'-P energy: -161.459 bonds (distance) P-C4' energy: -183.737 flat angles C4'-P-C4' energy: -200.939 flat angles P-C4'-P energy: -151.754 tors. eta vs tors. theta energy: -296.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -3588.634221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3588.634221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3588.634221 (E_RNA) where: Base-Base interactions energy: -2627.988 where: short stacking energy: -1001.991 Base-Backbone interact. energy: -0.035 local terms energy: -960.611101 where: bonds (distance) C4'-P energy: -176.349 bonds (distance) P-C4' energy: -150.274 flat angles C4'-P-C4' energy: -216.686 flat angles P-C4'-P energy: -127.590 tors. eta vs tors. theta energy: -289.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -3393.182988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3393.182988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3393.182988 (E_RNA) where: Base-Base interactions energy: -2449.932 where: short stacking energy: -930.094 Base-Backbone interact. energy: -1.466 local terms energy: -941.785678 where: bonds (distance) C4'-P energy: -164.189 bonds (distance) P-C4' energy: -169.179 flat angles C4'-P-C4' energy: -191.326 flat angles P-C4'-P energy: -137.439 tors. eta vs tors. theta energy: -279.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -3293.805043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3293.805043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3293.805043 (E_RNA) where: Base-Base interactions energy: -2407.725 where: short stacking energy: -930.766 Base-Backbone interact. energy: 6.701 local terms energy: -892.780679 where: bonds (distance) C4'-P energy: -153.525 bonds (distance) P-C4' energy: -154.816 flat angles C4'-P-C4' energy: -195.881 flat angles P-C4'-P energy: -120.812 tors. eta vs tors. theta energy: -267.747 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: 6 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -3208.324582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.324582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.324582 (E_RNA) where: Base-Base interactions energy: -2324.498 where: short stacking energy: -894.643 Base-Backbone interact. energy: 1.880 local terms energy: -885.706966 where: bonds (distance) C4'-P energy: -150.788 bonds (distance) P-C4' energy: -150.933 flat angles C4'-P-C4' energy: -202.419 flat angles P-C4'-P energy: -129.518 tors. eta vs tors. theta energy: -252.048 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: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -2869.464907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.464907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.464907 (E_RNA) where: Base-Base interactions energy: -2055.615 where: short stacking energy: -803.527 Base-Backbone interact. energy: -1.259 local terms energy: -812.591195 where: bonds (distance) C4'-P energy: -145.967 bonds (distance) P-C4' energy: -137.029 flat angles C4'-P-C4' energy: -171.480 flat angles P-C4'-P energy: -118.876 tors. eta vs tors. theta energy: -239.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -2860.147900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.147900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.147900 (E_RNA) where: Base-Base interactions energy: -2096.135 where: short stacking energy: -827.353 Base-Backbone interact. energy: 0.720 local terms energy: -764.732909 where: bonds (distance) C4'-P energy: -122.457 bonds (distance) P-C4' energy: -130.649 flat angles C4'-P-C4' energy: -169.430 flat angles P-C4'-P energy: -113.343 tors. eta vs tors. theta energy: -228.854 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: 1 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3865.284143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3865.284143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3865.284143 (E_RNA) where: Base-Base interactions energy: -2803.890 where: short stacking energy: -1083.339 Base-Backbone interact. energy: -3.325 local terms energy: -1058.068727 where: bonds (distance) C4'-P energy: -166.517 bonds (distance) P-C4' energy: -192.206 flat angles C4'-P-C4' energy: -224.257 flat angles P-C4'-P energy: -160.007 tors. eta vs tors. theta energy: -315.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3787.717256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3787.717256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3787.717256 (E_RNA) where: Base-Base interactions energy: -2749.108 where: short stacking energy: -1084.065 Base-Backbone interact. energy: 1.894 local terms energy: -1040.503619 where: bonds (distance) C4'-P energy: -178.811 bonds (distance) P-C4' energy: -185.857 flat angles C4'-P-C4' energy: -216.078 flat angles P-C4'-P energy: -146.573 tors. eta vs tors. theta energy: -313.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -3663.458251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3663.458251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3663.458251 (E_RNA) where: Base-Base interactions energy: -2667.165 where: short stacking energy: -1025.191 Base-Backbone interact. energy: 2.933 local terms energy: -999.225796 where: bonds (distance) C4'-P energy: -178.530 bonds (distance) P-C4' energy: -174.661 flat angles C4'-P-C4' energy: -209.559 flat angles P-C4'-P energy: -154.909 tors. eta vs tors. theta energy: -281.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -3658.353635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3658.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3658.353635 (E_RNA) where: Base-Base interactions energy: -2683.848 where: short stacking energy: -1034.241 Base-Backbone interact. energy: -1.207 local terms energy: -973.298861 where: bonds (distance) C4'-P energy: -164.707 bonds (distance) P-C4' energy: -166.618 flat angles C4'-P-C4' energy: -210.165 flat angles P-C4'-P energy: -139.944 tors. eta vs tors. theta energy: -291.864 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: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -3585.709616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3585.709616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3585.709616 (E_RNA) where: Base-Base interactions energy: -2634.226 where: short stacking energy: -1013.615 Base-Backbone interact. energy: -0.637 local terms energy: -950.845913 where: bonds (distance) C4'-P energy: -166.021 bonds (distance) P-C4' energy: -156.738 flat angles C4'-P-C4' energy: -195.939 flat angles P-C4'-P energy: -143.051 tors. eta vs tors. theta energy: -289.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -3412.248716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3412.248716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3412.248716 (E_RNA) where: Base-Base interactions energy: -2481.073 where: short stacking energy: -943.978 Base-Backbone interact. energy: 0.656 local terms energy: -931.832183 where: bonds (distance) C4'-P energy: -160.751 bonds (distance) P-C4' energy: -151.921 flat angles C4'-P-C4' energy: -190.870 flat angles P-C4'-P energy: -133.679 tors. eta vs tors. theta energy: -294.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -3307.269044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3307.269044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3307.269044 (E_RNA) where: Base-Base interactions energy: -2405.687 where: short stacking energy: -923.349 Base-Backbone interact. energy: 1.665 local terms energy: -903.246816 where: bonds (distance) C4'-P energy: -147.324 bonds (distance) P-C4' energy: -157.258 flat angles C4'-P-C4' energy: -194.830 flat angles P-C4'-P energy: -126.585 tors. eta vs tors. theta energy: -277.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -3238.243407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.243407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.243407 (E_RNA) where: Base-Base interactions energy: -2361.272 where: short stacking energy: -915.170 Base-Backbone interact. energy: -0.073 local terms energy: -876.898387 where: bonds (distance) C4'-P energy: -145.094 bonds (distance) P-C4' energy: -139.459 flat angles C4'-P-C4' energy: -191.685 flat angles P-C4'-P energy: -139.270 tors. eta vs tors. theta energy: -261.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -2949.138333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.138333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.138333 (E_RNA) where: Base-Base interactions energy: -2116.929 where: short stacking energy: -815.744 Base-Backbone interact. energy: 0.571 local terms energy: -832.780754 where: bonds (distance) C4'-P energy: -153.613 bonds (distance) P-C4' energy: -162.529 flat angles C4'-P-C4' energy: -168.808 flat angles P-C4'-P energy: -103.697 tors. eta vs tors. theta energy: -244.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -2743.840605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.840605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.840605 (E_RNA) where: Base-Base interactions energy: -1970.580 where: short stacking energy: -776.948 Base-Backbone interact. energy: -1.655 local terms energy: -771.605291 where: bonds (distance) C4'-P energy: -130.560 bonds (distance) P-C4' energy: -152.681 flat angles C4'-P-C4' energy: -164.192 flat angles P-C4'-P energy: -98.552 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: 1, replica: 1 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3875.573946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3875.573946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3875.573946 (E_RNA) where: Base-Base interactions energy: -2802.389 where: short stacking energy: -1074.369 Base-Backbone interact. energy: -2.168 local terms energy: -1071.016688 where: bonds (distance) C4'-P energy: -198.957 bonds (distance) P-C4' energy: -190.028 flat angles C4'-P-C4' energy: -221.251 flat angles P-C4'-P energy: -152.691 tors. eta vs tors. theta energy: -308.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3774.462545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3774.462545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3774.462545 (E_RNA) where: Base-Base interactions energy: -2754.059 where: short stacking energy: -1047.516 Base-Backbone interact. energy: -2.678 local terms energy: -1017.724978 where: bonds (distance) C4'-P energy: -169.382 bonds (distance) P-C4' energy: -172.126 flat angles C4'-P-C4' energy: -229.480 flat angles P-C4'-P energy: -141.968 tors. eta vs tors. theta energy: -304.769 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: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -3710.080415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3710.080415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3710.080415 (E_RNA) where: Base-Base interactions energy: -2713.915 where: short stacking energy: -1044.952 Base-Backbone interact. energy: -0.073 local terms energy: -996.092847 where: bonds (distance) C4'-P energy: -171.178 bonds (distance) P-C4' energy: -163.293 flat angles C4'-P-C4' energy: -209.186 flat angles P-C4'-P energy: -141.785 tors. eta vs tors. theta energy: -310.650 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: 10 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -3596.000148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3596.000148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3596.000148 (E_RNA) where: Base-Base interactions energy: -2640.641 where: short stacking energy: -996.523 Base-Backbone interact. energy: 2.756 local terms energy: -958.114931 where: bonds (distance) C4'-P energy: -179.872 bonds (distance) P-C4' energy: -174.225 flat angles C4'-P-C4' energy: -196.235 flat angles P-C4'-P energy: -124.242 tors. eta vs tors. theta energy: -283.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -3582.948161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.948161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.948161 (E_RNA) where: Base-Base interactions energy: -2615.478 where: short stacking energy: -1011.231 Base-Backbone interact. energy: -0.896 local terms energy: -966.574266 where: bonds (distance) C4'-P energy: -166.250 bonds (distance) P-C4' energy: -163.587 flat angles C4'-P-C4' energy: -209.873 flat angles P-C4'-P energy: -140.676 tors. eta vs tors. theta energy: -286.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -3432.365410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3432.365410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3432.365410 (E_RNA) where: Base-Base interactions energy: -2492.334 where: short stacking energy: -962.612 Base-Backbone interact. energy: -1.968 local terms energy: -938.063014 where: bonds (distance) C4'-P energy: -153.803 bonds (distance) P-C4' energy: -180.365 flat angles C4'-P-C4' energy: -190.700 flat angles P-C4'-P energy: -120.356 tors. eta vs tors. theta energy: -292.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -3312.566941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.566941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.566941 (E_RNA) where: Base-Base interactions energy: -2440.609 where: short stacking energy: -918.475 Base-Backbone interact. energy: 0.743 local terms energy: -872.700388 where: bonds (distance) C4'-P energy: -167.950 bonds (distance) P-C4' energy: -148.435 flat angles C4'-P-C4' energy: -175.077 flat angles P-C4'-P energy: -121.150 tors. eta vs tors. theta energy: -260.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -3212.275202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.275202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.275202 (E_RNA) where: Base-Base interactions energy: -2355.955 where: short stacking energy: -875.893 Base-Backbone interact. energy: -2.008 local terms energy: -854.312193 where: bonds (distance) C4'-P energy: -138.113 bonds (distance) P-C4' energy: -147.168 flat angles C4'-P-C4' energy: -191.861 flat angles P-C4'-P energy: -119.416 tors. eta vs tors. theta energy: -257.754 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: 360 Temperature: 1.300000 Total energy: -2984.446090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.446090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.446090 (E_RNA) where: Base-Base interactions energy: -2144.849 where: short stacking energy: -842.084 Base-Backbone interact. energy: -2.592 local terms energy: -837.005450 where: bonds (distance) C4'-P energy: -151.838 bonds (distance) P-C4' energy: -153.886 flat angles C4'-P-C4' energy: -174.533 flat angles P-C4'-P energy: -111.089 tors. eta vs tors. theta energy: -245.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -2682.047741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.047741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.047741 (E_RNA) where: Base-Base interactions energy: -1901.232 where: short stacking energy: -748.214 Base-Backbone interact. energy: -0.343 local terms energy: -780.473206 where: bonds (distance) C4'-P energy: -142.455 bonds (distance) P-C4' energy: -149.562 flat angles C4'-P-C4' energy: -167.077 flat angles P-C4'-P energy: -112.071 tors. eta vs tors. theta energy: -209.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3867.812966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3867.812966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3867.812966 (E_RNA) where: Base-Base interactions energy: -2848.346 where: short stacking energy: -1081.127 Base-Backbone interact. energy: -0.297 local terms energy: -1019.169805 where: bonds (distance) C4'-P energy: -188.770 bonds (distance) P-C4' energy: -163.889 flat angles C4'-P-C4' energy: -210.636 flat angles P-C4'-P energy: -146.861 tors. eta vs tors. theta energy: -309.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3770.384607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3770.384607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3770.384607 (E_RNA) where: Base-Base interactions energy: -2743.947 where: short stacking energy: -1060.434 Base-Backbone interact. energy: 0.742 local terms energy: -1027.179652 where: bonds (distance) C4'-P energy: -171.936 bonds (distance) P-C4' energy: -182.248 flat angles C4'-P-C4' energy: -206.825 flat angles P-C4'-P energy: -145.700 tors. eta vs tors. theta energy: -320.470 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: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -3696.057989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3696.057989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3696.057989 (E_RNA) where: Base-Base interactions energy: -2697.155 where: short stacking energy: -1030.270 Base-Backbone interact. energy: 8.628 local terms energy: -1007.530718 where: bonds (distance) C4'-P energy: -182.174 bonds (distance) P-C4' energy: -165.432 flat angles C4'-P-C4' energy: -218.301 flat angles P-C4'-P energy: -143.405 tors. eta vs tors. theta energy: -298.219 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: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -3637.091617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3637.091617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3637.091617 (E_RNA) where: Base-Base interactions energy: -2639.834 where: short stacking energy: -1049.460 Base-Backbone interact. energy: -5.548 local terms energy: -991.709886 where: bonds (distance) C4'-P energy: -177.729 bonds (distance) P-C4' energy: -164.731 flat angles C4'-P-C4' energy: -212.640 flat angles P-C4'-P energy: -134.727 tors. eta vs tors. theta energy: -301.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -3559.882603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3559.882603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3559.882603 (E_RNA) where: Base-Base interactions energy: -2591.496 where: short stacking energy: -1012.552 Base-Backbone interact. energy: 4.585 local terms energy: -972.971887 where: bonds (distance) C4'-P energy: -170.820 bonds (distance) P-C4' energy: -168.854 flat angles C4'-P-C4' energy: -202.503 flat angles P-C4'-P energy: -136.888 tors. eta vs tors. theta energy: -293.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -3430.334368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.334368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.334368 (E_RNA) where: Base-Base interactions energy: -2520.005 where: short stacking energy: -980.671 Base-Backbone interact. energy: -2.333 local terms energy: -907.996364 where: bonds (distance) C4'-P energy: -154.337 bonds (distance) P-C4' energy: -143.107 flat angles C4'-P-C4' energy: -196.084 flat angles P-C4'-P energy: -124.861 tors. eta vs tors. theta energy: -289.608 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: 9 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -3339.270820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.270820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.270820 (E_RNA) where: Base-Base interactions energy: -2437.745 where: short stacking energy: -933.186 Base-Backbone interact. energy: -0.915 local terms energy: -900.610447 where: bonds (distance) C4'-P energy: -164.420 bonds (distance) P-C4' energy: -153.855 flat angles C4'-P-C4' energy: -186.338 flat angles P-C4'-P energy: -121.990 tors. eta vs tors. theta energy: -274.008 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: 6 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -3192.283534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.283534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.283534 (E_RNA) where: Base-Base interactions energy: -2287.538 where: short stacking energy: -882.702 Base-Backbone interact. energy: 2.049 local terms energy: -906.794330 where: bonds (distance) C4'-P energy: -164.927 bonds (distance) P-C4' energy: -172.683 flat angles C4'-P-C4' energy: -182.612 flat angles P-C4'-P energy: -125.712 tors. eta vs tors. theta energy: -260.860 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: 9, replica: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -2972.022848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.022848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.022848 (E_RNA) where: Base-Base interactions energy: -2204.748 where: short stacking energy: -858.409 Base-Backbone interact. energy: 1.004 local terms energy: -768.279384 where: bonds (distance) C4'-P energy: -117.439 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -161.135 flat angles P-C4'-P energy: -111.993 tors. eta vs tors. theta energy: -248.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -2763.761312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.761312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.761312 (E_RNA) where: Base-Base interactions energy: -2029.052 where: short stacking energy: -783.823 Base-Backbone interact. energy: 1.163 local terms energy: -735.872375 where: bonds (distance) C4'-P energy: -153.017 bonds (distance) P-C4' energy: -114.307 flat angles C4'-P-C4' energy: -175.953 flat angles P-C4'-P energy: -77.658 tors. eta vs tors. theta energy: -214.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3841.999026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3841.999026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3841.999026 (E_RNA) where: Base-Base interactions energy: -2817.285 where: short stacking energy: -1061.529 Base-Backbone interact. energy: -0.674 local terms energy: -1024.039323 where: bonds (distance) C4'-P energy: -169.567 bonds (distance) P-C4' energy: -185.441 flat angles C4'-P-C4' energy: -207.157 flat angles P-C4'-P energy: -145.101 tors. eta vs tors. theta energy: -316.772 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: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -3784.747773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3784.747773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3784.747773 (E_RNA) where: Base-Base interactions energy: -2719.371 where: short stacking energy: -1060.363 Base-Backbone interact. energy: -2.377 local terms energy: -1062.999068 where: bonds (distance) C4'-P energy: -177.727 bonds (distance) P-C4' energy: -187.354 flat angles C4'-P-C4' energy: -221.041 flat angles P-C4'-P energy: -161.311 tors. eta vs tors. theta energy: -315.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -3756.437405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.437405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.437405 (E_RNA) where: Base-Base interactions energy: -2725.416 where: short stacking energy: -1066.276 Base-Backbone interact. energy: -2.535 local terms energy: -1028.486255 where: bonds (distance) C4'-P energy: -161.075 bonds (distance) P-C4' energy: -192.986 flat angles C4'-P-C4' energy: -211.453 flat angles P-C4'-P energy: -151.724 tors. eta vs tors. theta energy: -311.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -3622.509018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3622.509018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3622.509018 (E_RNA) where: Base-Base interactions energy: -2618.185 where: short stacking energy: -1020.663 Base-Backbone interact. energy: 1.071 local terms energy: -1005.394662 where: bonds (distance) C4'-P energy: -182.179 bonds (distance) P-C4' energy: -163.463 flat angles C4'-P-C4' energy: -215.171 flat angles P-C4'-P energy: -148.191 tors. eta vs tors. theta energy: -296.392 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: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -3549.748845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3549.748845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3549.748845 (E_RNA) where: Base-Base interactions energy: -2598.248 where: short stacking energy: -995.851 Base-Backbone interact. energy: 3.596 local terms energy: -955.097052 where: bonds (distance) C4'-P energy: -163.492 bonds (distance) P-C4' energy: -186.500 flat angles C4'-P-C4' energy: -196.297 flat angles P-C4'-P energy: -123.010 tors. eta vs tors. theta energy: -285.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -3441.555933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3441.555933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3441.555933 (E_RNA) where: Base-Base interactions energy: -2467.057 where: short stacking energy: -969.072 Base-Backbone interact. energy: -1.389 local terms energy: -973.110204 where: bonds (distance) C4'-P energy: -177.814 bonds (distance) P-C4' energy: -162.682 flat angles C4'-P-C4' energy: -201.376 flat angles P-C4'-P energy: -145.658 tors. eta vs tors. theta energy: -285.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -3307.632219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3307.632219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3307.632219 (E_RNA) where: Base-Base interactions energy: -2415.769 where: short stacking energy: -930.140 Base-Backbone interact. energy: -1.789 local terms energy: -890.074347 where: bonds (distance) C4'-P energy: -157.799 bonds (distance) P-C4' energy: -149.926 flat angles C4'-P-C4' energy: -198.473 flat angles P-C4'-P energy: -118.997 tors. eta vs tors. theta energy: -264.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -3191.150113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.150113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.150113 (E_RNA) where: Base-Base interactions energy: -2342.488 where: short stacking energy: -918.221 Base-Backbone interact. energy: -2.674 local terms energy: -845.988080 where: bonds (distance) C4'-P energy: -156.300 bonds (distance) P-C4' energy: -140.115 flat angles C4'-P-C4' energy: -180.613 flat angles P-C4'-P energy: -95.269 tors. eta vs tors. theta energy: -273.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -3000.606624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.606624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.606624 (E_RNA) where: Base-Base interactions energy: -2128.631 where: short stacking energy: -824.319 Base-Backbone interact. energy: -0.372 local terms energy: -871.604446 where: bonds (distance) C4'-P energy: -163.092 bonds (distance) P-C4' energy: -176.055 flat angles C4'-P-C4' energy: -175.509 flat angles P-C4'-P energy: -122.455 tors. eta vs tors. theta energy: -234.494 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: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -2811.230956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.230956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.230956 (E_RNA) where: Base-Base interactions energy: -2040.526 where: short stacking energy: -775.343 Base-Backbone interact. energy: -1.038 local terms energy: -769.666428 where: bonds (distance) C4'-P energy: -138.225 bonds (distance) P-C4' energy: -119.505 flat angles C4'-P-C4' energy: -191.275 flat angles P-C4'-P energy: -97.448 tors. eta vs tors. theta energy: -223.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3853.274335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3853.274335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3853.274335 (E_RNA) where: Base-Base interactions energy: -2793.300 where: short stacking energy: -1059.430 Base-Backbone interact. energy: -3.434 local terms energy: -1056.540375 where: bonds (distance) C4'-P energy: -183.908 bonds (distance) P-C4' energy: -191.975 flat angles C4'-P-C4' energy: -223.439 flat angles P-C4'-P energy: -149.466 tors. eta vs tors. theta energy: -307.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3807.783340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3807.783340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3807.783340 (E_RNA) where: Base-Base interactions energy: -2768.049 where: short stacking energy: -1060.452 Base-Backbone interact. energy: -1.128 local terms energy: -1038.605760 where: bonds (distance) C4'-P energy: -186.826 bonds (distance) P-C4' energy: -182.338 flat angles C4'-P-C4' energy: -224.704 flat angles P-C4'-P energy: -133.755 tors. eta vs tors. theta energy: -310.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -3721.998686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3721.998686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3721.998686 (E_RNA) where: Base-Base interactions energy: -2685.523 where: short stacking energy: -1053.200 Base-Backbone interact. energy: -3.730 local terms energy: -1032.745720 where: bonds (distance) C4'-P energy: -185.980 bonds (distance) P-C4' energy: -182.689 flat angles C4'-P-C4' energy: -211.529 flat angles P-C4'-P energy: -139.472 tors. eta vs tors. theta energy: -313.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -3614.681835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.681835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.681835 (E_RNA) where: Base-Base interactions energy: -2662.404 where: short stacking energy: -1022.446 Base-Backbone interact. energy: -1.700 local terms energy: -950.577805 where: bonds (distance) C4'-P energy: -146.323 bonds (distance) P-C4' energy: -163.350 flat angles C4'-P-C4' energy: -200.439 flat angles P-C4'-P energy: -141.175 tors. eta vs tors. theta energy: -299.291 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -3519.562339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3519.562339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3519.562339 (E_RNA) where: Base-Base interactions energy: -2574.436 where: short stacking energy: -994.043 Base-Backbone interact. energy: 4.008 local terms energy: -949.134562 where: bonds (distance) C4'-P energy: -148.277 bonds (distance) P-C4' energy: -165.128 flat angles C4'-P-C4' energy: -197.504 flat angles P-C4'-P energy: -138.907 tors. eta vs tors. theta energy: -299.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -3444.613375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.613375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.613375 (E_RNA) where: Base-Base interactions energy: -2513.899 where: short stacking energy: -964.251 Base-Backbone interact. energy: 1.866 local terms energy: -932.580419 where: bonds (distance) C4'-P energy: -162.906 bonds (distance) P-C4' energy: -172.686 flat angles C4'-P-C4' energy: -193.784 flat angles P-C4'-P energy: -116.421 tors. eta vs tors. theta energy: -286.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -3330.790429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.790429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.790429 (E_RNA) where: Base-Base interactions energy: -2417.189 where: short stacking energy: -927.984 Base-Backbone interact. energy: -3.945 local terms energy: -909.655952 where: bonds (distance) C4'-P energy: -158.820 bonds (distance) P-C4' energy: -135.930 flat angles C4'-P-C4' energy: -194.290 flat angles P-C4'-P energy: -140.100 tors. eta vs tors. theta energy: -280.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -3213.072333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.072333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.072333 (E_RNA) where: Base-Base interactions energy: -2346.338 where: short stacking energy: -921.793 Base-Backbone interact. energy: -0.127 local terms energy: -866.607167 where: bonds (distance) C4'-P energy: -142.059 bonds (distance) P-C4' energy: -140.182 flat angles C4'-P-C4' energy: -186.259 flat angles P-C4'-P energy: -120.570 tors. eta vs tors. theta energy: -277.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -2987.563022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.563022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.563022 (E_RNA) where: Base-Base interactions energy: -2148.844 where: short stacking energy: -841.167 Base-Backbone interact. energy: 0.422 local terms energy: -839.140858 where: bonds (distance) C4'-P energy: -155.915 bonds (distance) P-C4' energy: -155.143 flat angles C4'-P-C4' energy: -171.678 flat angles P-C4'-P energy: -113.043 tors. eta vs tors. theta energy: -243.363 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: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -2823.517003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.517003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.517003 (E_RNA) where: Base-Base interactions energy: -2054.232 where: short stacking energy: -797.051 Base-Backbone interact. energy: 3.388 local terms energy: -772.673458 where: bonds (distance) C4'-P energy: -127.080 bonds (distance) P-C4' energy: -129.523 flat angles C4'-P-C4' energy: -182.930 flat angles P-C4'-P energy: -109.621 tors. eta vs tors. theta energy: -223.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3871.724443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3871.724443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3871.724443 (E_RNA) where: Base-Base interactions energy: -2806.864 where: short stacking energy: -1082.888 Base-Backbone interact. energy: -0.284 local terms energy: -1064.576663 where: bonds (distance) C4'-P energy: -192.720 bonds (distance) P-C4' energy: -189.996 flat angles C4'-P-C4' energy: -211.309 flat angles P-C4'-P energy: -154.455 tors. eta vs tors. theta energy: -316.097 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: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3844.584891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3844.584891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3844.584891 (E_RNA) where: Base-Base interactions energy: -2803.375 where: short stacking energy: -1077.583 Base-Backbone interact. energy: -2.813 local terms energy: -1038.397379 where: bonds (distance) C4'-P energy: -172.590 bonds (distance) P-C4' energy: -182.098 flat angles C4'-P-C4' energy: -217.435 flat angles P-C4'-P energy: -151.202 tors. eta vs tors. theta energy: -315.072 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: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -3724.131652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3724.131652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3724.131652 (E_RNA) where: Base-Base interactions energy: -2702.250 where: short stacking energy: -1046.144 Base-Backbone interact. energy: 0.426 local terms energy: -1022.307751 where: bonds (distance) C4'-P energy: -177.587 bonds (distance) P-C4' energy: -188.205 flat angles C4'-P-C4' energy: -208.925 flat angles P-C4'-P energy: -149.180 tors. eta vs tors. theta energy: -298.411 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: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -3628.788388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3628.788388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3628.788388 (E_RNA) where: Base-Base interactions energy: -2619.370 where: short stacking energy: -1018.457 Base-Backbone interact. energy: -3.290 local terms energy: -1006.128969 where: bonds (distance) C4'-P energy: -181.485 bonds (distance) P-C4' energy: -170.319 flat angles C4'-P-C4' energy: -211.847 flat angles P-C4'-P energy: -144.750 tors. eta vs tors. theta energy: -297.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -3544.775186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3544.775186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3544.775186 (E_RNA) where: Base-Base interactions energy: -2580.056 where: short stacking energy: -971.420 Base-Backbone interact. energy: 0.075 local terms energy: -964.794329 where: bonds (distance) C4'-P energy: -149.581 bonds (distance) P-C4' energy: -180.496 flat angles C4'-P-C4' energy: -201.601 flat angles P-C4'-P energy: -144.399 tors. eta vs tors. theta energy: -288.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -3467.156728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.156728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.156728 (E_RNA) where: Base-Base interactions energy: -2506.644 where: short stacking energy: -988.144 Base-Backbone interact. energy: -0.269 local terms energy: -960.244297 where: bonds (distance) C4'-P energy: -171.211 bonds (distance) P-C4' energy: -158.317 flat angles C4'-P-C4' energy: -203.045 flat angles P-C4'-P energy: -136.583 tors. eta vs tors. theta energy: -291.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -3326.309601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.309601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.309601 (E_RNA) where: Base-Base interactions energy: -2410.767 where: short stacking energy: -948.374 Base-Backbone interact. energy: -0.496 local terms energy: -915.047183 where: bonds (distance) C4'-P energy: -148.629 bonds (distance) P-C4' energy: -176.796 flat angles C4'-P-C4' energy: -186.416 flat angles P-C4'-P energy: -126.179 tors. eta vs tors. theta energy: -277.027 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: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -3232.033066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.033066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.033066 (E_RNA) where: Base-Base interactions energy: -2365.285 where: short stacking energy: -926.485 Base-Backbone interact. energy: -2.075 local terms energy: -864.672382 where: bonds (distance) C4'-P energy: -148.916 bonds (distance) P-C4' energy: -161.847 flat angles C4'-P-C4' energy: -181.279 flat angles P-C4'-P energy: -106.407 tors. eta vs tors. theta energy: -266.223 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: 364 Temperature: 1.300000 Total energy: -3031.048243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.048243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.048243 (E_RNA) where: Base-Base interactions energy: -2189.565 where: short stacking energy: -867.326 Base-Backbone interact. energy: -1.130 local terms energy: -840.352823 where: bonds (distance) C4'-P energy: -134.862 bonds (distance) P-C4' energy: -157.143 flat angles C4'-P-C4' energy: -192.102 flat angles P-C4'-P energy: -100.465 tors. eta vs tors. theta energy: -255.781 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: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -2839.845056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.845056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.845056 (E_RNA) where: Base-Base interactions energy: -2062.785 where: short stacking energy: -816.894 Base-Backbone interact. energy: 0.447 local terms energy: -777.507612 where: bonds (distance) C4'-P energy: -136.813 bonds (distance) P-C4' energy: -137.705 flat angles C4'-P-C4' energy: -171.266 flat angles P-C4'-P energy: -98.764 tors. eta vs tors. theta energy: -232.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3875.603721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3875.603721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3875.603721 (E_RNA) where: Base-Base interactions energy: -2821.675 where: short stacking energy: -1082.847 Base-Backbone interact. energy: -2.574 local terms energy: -1051.355089 where: bonds (distance) C4'-P energy: -180.930 bonds (distance) P-C4' energy: -188.085 flat angles C4'-P-C4' energy: -212.979 flat angles P-C4'-P energy: -160.694 tors. eta vs tors. theta energy: -308.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3783.820167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3783.820167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3783.820167 (E_RNA) where: Base-Base interactions energy: -2770.472 where: short stacking energy: -1077.915 Base-Backbone interact. energy: 2.940 local terms energy: -1016.288001 where: bonds (distance) C4'-P energy: -180.341 bonds (distance) P-C4' energy: -186.337 flat angles C4'-P-C4' energy: -212.481 flat angles P-C4'-P energy: -125.355 tors. eta vs tors. theta energy: -311.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -3711.281168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3711.281168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3711.281168 (E_RNA) where: Base-Base interactions energy: -2717.418 where: short stacking energy: -1055.670 Base-Backbone interact. energy: -3.517 local terms energy: -990.345324 where: bonds (distance) C4'-P energy: -158.677 bonds (distance) P-C4' energy: -166.855 flat angles C4'-P-C4' energy: -209.369 flat angles P-C4'-P energy: -154.821 tors. eta vs tors. theta energy: -300.623 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: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -3604.868174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.868174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3604.868174 (E_RNA) where: Base-Base interactions energy: -2622.876 where: short stacking energy: -993.216 Base-Backbone interact. energy: 6.404 local terms energy: -988.396093 where: bonds (distance) C4'-P energy: -170.305 bonds (distance) P-C4' energy: -164.080 flat angles C4'-P-C4' energy: -225.942 flat angles P-C4'-P energy: -134.137 tors. eta vs tors. theta energy: -293.932 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: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -3584.136535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3584.136535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3584.136535 (E_RNA) where: Base-Base interactions energy: -2645.538 where: short stacking energy: -1020.562 Base-Backbone interact. energy: -0.995 local terms energy: -937.603942 where: bonds (distance) C4'-P energy: -141.223 bonds (distance) P-C4' energy: -167.943 flat angles C4'-P-C4' energy: -193.135 flat angles P-C4'-P energy: -135.846 tors. eta vs tors. theta energy: -299.457 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: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -3484.393080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.393080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.393080 (E_RNA) where: Base-Base interactions energy: -2550.822 where: short stacking energy: -1007.478 Base-Backbone interact. energy: -2.953 local terms energy: -930.617737 where: bonds (distance) C4'-P energy: -140.927 bonds (distance) P-C4' energy: -160.121 flat angles C4'-P-C4' energy: -200.142 flat angles P-C4'-P energy: -135.332 tors. eta vs tors. theta energy: -294.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -3284.553346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.553346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.553346 (E_RNA) where: Base-Base interactions energy: -2395.930 where: short stacking energy: -930.900 Base-Backbone interact. energy: -1.676 local terms energy: -886.947247 where: bonds (distance) C4'-P energy: -139.902 bonds (distance) P-C4' energy: -156.986 flat angles C4'-P-C4' energy: -193.748 flat angles P-C4'-P energy: -123.541 tors. eta vs tors. theta energy: -272.769 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: 365 Temperature: 1.250000 Total energy: -3222.981383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.981383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.981383 (E_RNA) where: Base-Base interactions energy: -2341.469 where: short stacking energy: -891.778 Base-Backbone interact. energy: -0.464 local terms energy: -881.048021 where: bonds (distance) C4'-P energy: -147.564 bonds (distance) P-C4' energy: -139.440 flat angles C4'-P-C4' energy: -187.174 flat angles P-C4'-P energy: -125.565 tors. eta vs tors. theta energy: -281.305 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: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -2957.517298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.517298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.517298 (E_RNA) where: Base-Base interactions energy: -2142.079 where: short stacking energy: -823.304 Base-Backbone interact. energy: -4.251 local terms energy: -811.186997 where: bonds (distance) C4'-P energy: -130.567 bonds (distance) P-C4' energy: -139.691 flat angles C4'-P-C4' energy: -196.270 flat angles P-C4'-P energy: -109.564 tors. eta vs tors. theta energy: -235.094 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: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -2812.778270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.778270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.778270 (E_RNA) where: Base-Base interactions energy: -2063.109 where: short stacking energy: -833.948 Base-Backbone interact. energy: 1.324 local terms energy: -750.992957 where: bonds (distance) C4'-P energy: -132.630 bonds (distance) P-C4' energy: -119.690 flat angles C4'-P-C4' energy: -156.864 flat angles P-C4'-P energy: -109.067 tors. eta vs tors. theta energy: -232.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3898.415052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.415052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3898.415052 (E_RNA) where: Base-Base interactions energy: -2869.572 where: short stacking energy: -1078.832 Base-Backbone interact. energy: -3.468 local terms energy: -1025.375494 where: bonds (distance) C4'-P energy: -162.310 bonds (distance) P-C4' energy: -171.468 flat angles C4'-P-C4' energy: -224.414 flat angles P-C4'-P energy: -161.921 tors. eta vs tors. theta energy: -305.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -3804.282284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3804.282284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3804.282284 (E_RNA) where: Base-Base interactions energy: -2788.423 where: short stacking energy: -1064.567 Base-Backbone interact. energy: -3.105 local terms energy: -1012.753824 where: bonds (distance) C4'-P energy: -183.080 bonds (distance) P-C4' energy: -156.068 flat angles C4'-P-C4' energy: -211.932 flat angles P-C4'-P energy: -149.719 tors. eta vs tors. theta energy: -311.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -3693.234584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3693.234584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3693.234584 (E_RNA) where: Base-Base interactions energy: -2685.791 where: short stacking energy: -1034.782 Base-Backbone interact. energy: -2.666 local terms energy: -1004.778203 where: bonds (distance) C4'-P energy: -182.927 bonds (distance) P-C4' energy: -180.974 flat angles C4'-P-C4' energy: -221.327 flat angles P-C4'-P energy: -124.318 tors. eta vs tors. theta energy: -295.233 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: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -3647.462298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3647.462298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3647.462298 (E_RNA) where: Base-Base interactions energy: -2661.133 where: short stacking energy: -1003.440 Base-Backbone interact. energy: 8.176 local terms energy: -994.505948 where: bonds (distance) C4'-P energy: -167.397 bonds (distance) P-C4' energy: -166.403 flat angles C4'-P-C4' energy: -212.286 flat angles P-C4'-P energy: -147.920 tors. eta vs tors. theta energy: -300.500 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: 366 Temperature: 1.100000 Total energy: -3530.536927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3530.536927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3530.536927 (E_RNA) where: Base-Base interactions energy: -2593.013 where: short stacking energy: -1012.056 Base-Backbone interact. energy: -2.703 local terms energy: -934.821186 where: bonds (distance) C4'-P energy: -145.182 bonds (distance) P-C4' energy: -144.261 flat angles C4'-P-C4' energy: -205.396 flat angles P-C4'-P energy: -148.957 tors. eta vs tors. theta energy: -291.026 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: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -3404.569238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3404.569238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3404.569238 (E_RNA) where: Base-Base interactions energy: -2474.217 where: short stacking energy: -950.518 Base-Backbone interact. energy: 1.030 local terms energy: -931.382403 where: bonds (distance) C4'-P energy: -163.768 bonds (distance) P-C4' energy: -150.024 flat angles C4'-P-C4' energy: -190.712 flat angles P-C4'-P energy: -147.171 tors. eta vs tors. theta energy: -279.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -3348.712441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3348.712441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3348.712441 (E_RNA) where: Base-Base interactions energy: -2431.218 where: short stacking energy: -934.879 Base-Backbone interact. energy: 0.524 local terms energy: -918.018903 where: bonds (distance) C4'-P energy: -151.702 bonds (distance) P-C4' energy: -148.902 flat angles C4'-P-C4' energy: -202.009 flat angles P-C4'-P energy: -137.925 tors. eta vs tors. theta energy: -277.481 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: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -3221.191888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.191888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.191888 (E_RNA) where: Base-Base interactions energy: -2379.461 where: short stacking energy: -914.215 Base-Backbone interact. energy: 2.048 local terms energy: -843.779264 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -143.124 flat angles C4'-P-C4' energy: -188.872 flat angles P-C4'-P energy: -113.441 tors. eta vs tors. theta energy: -256.947 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: 366 Temperature: 1.300000 Total energy: -2970.584122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.584122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.584122 (E_RNA) where: Base-Base interactions energy: -2156.942 where: short stacking energy: -809.381 Base-Backbone interact. energy: -0.042 local terms energy: -813.600161 where: bonds (distance) C4'-P energy: -130.505 bonds (distance) P-C4' energy: -166.209 flat angles C4'-P-C4' energy: -170.661 flat angles P-C4'-P energy: -100.407 tors. eta vs tors. theta energy: -245.818 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: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -2783.503106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.503106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.503106 (E_RNA) where: Base-Base interactions energy: -2004.863 where: short stacking energy: -783.384 Base-Backbone interact. energy: -4.389 local terms energy: -774.250859 where: bonds (distance) C4'-P energy: -127.994 bonds (distance) P-C4' energy: -150.997 flat angles C4'-P-C4' energy: -168.200 flat angles P-C4'-P energy: -111.028 tors. eta vs tors. theta energy: -216.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3885.983085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3885.983085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3885.983085 (E_RNA) where: Base-Base interactions energy: -2804.536 where: short stacking energy: -1049.511 Base-Backbone interact. energy: -1.223 local terms energy: -1080.224743 where: bonds (distance) C4'-P energy: -199.047 bonds (distance) P-C4' energy: -188.114 flat angles C4'-P-C4' energy: -224.605 flat angles P-C4'-P energy: -164.986 tors. eta vs tors. theta energy: -303.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3781.284764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3781.284764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3781.284764 (E_RNA) where: Base-Base interactions energy: -2771.603 where: short stacking energy: -1048.979 Base-Backbone interact. energy: 1.200 local terms energy: -1010.882065 where: bonds (distance) C4'-P energy: -201.075 bonds (distance) P-C4' energy: -172.383 flat angles C4'-P-C4' energy: -204.340 flat angles P-C4'-P energy: -132.819 tors. eta vs tors. theta energy: -300.265 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: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -3705.936329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3705.936329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3705.936329 (E_RNA) where: Base-Base interactions energy: -2698.726 where: short stacking energy: -1048.362 Base-Backbone interact. energy: -1.643 local terms energy: -1005.567200 where: bonds (distance) C4'-P energy: -177.851 bonds (distance) P-C4' energy: -159.657 flat angles C4'-P-C4' energy: -222.060 flat angles P-C4'-P energy: -139.704 tors. eta vs tors. theta energy: -306.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -3674.198454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3674.198454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3674.198454 (E_RNA) where: Base-Base interactions energy: -2689.234 where: short stacking energy: -1027.650 Base-Backbone interact. energy: 4.092 local terms energy: -989.056162 where: bonds (distance) C4'-P energy: -165.972 bonds (distance) P-C4' energy: -169.240 flat angles C4'-P-C4' energy: -215.201 flat angles P-C4'-P energy: -131.795 tors. eta vs tors. theta energy: -306.847 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: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -3552.100271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.100271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.100271 (E_RNA) where: Base-Base interactions energy: -2599.116 where: short stacking energy: -1015.569 Base-Backbone interact. energy: -3.073 local terms energy: -949.911758 where: bonds (distance) C4'-P energy: -156.808 bonds (distance) P-C4' energy: -156.419 flat angles C4'-P-C4' energy: -210.762 flat angles P-C4'-P energy: -126.733 tors. eta vs tors. theta energy: -299.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -3474.895906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.895906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.895906 (E_RNA) where: Base-Base interactions energy: -2531.091 where: short stacking energy: -977.423 Base-Backbone interact. energy: 2.316 local terms energy: -946.120838 where: bonds (distance) C4'-P energy: -151.837 bonds (distance) P-C4' energy: -178.047 flat angles C4'-P-C4' energy: -187.313 flat angles P-C4'-P energy: -141.760 tors. eta vs tors. theta energy: -287.163 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: 8 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -3337.282026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.282026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.282026 (E_RNA) where: Base-Base interactions energy: -2477.376 where: short stacking energy: -963.590 Base-Backbone interact. energy: 1.482 local terms energy: -861.388042 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -154.794 flat angles C4'-P-C4' energy: -201.873 flat angles P-C4'-P energy: -107.918 tors. eta vs tors. theta energy: -273.448 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: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -3214.354700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.354700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.354700 (E_RNA) where: Base-Base interactions energy: -2353.962 where: short stacking energy: -908.013 Base-Backbone interact. energy: -1.921 local terms energy: -858.471636 where: bonds (distance) C4'-P energy: -146.470 bonds (distance) P-C4' energy: -134.834 flat angles C4'-P-C4' energy: -183.615 flat angles P-C4'-P energy: -130.203 tors. eta vs tors. theta energy: -263.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -3017.602408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.602408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.602408 (E_RNA) where: Base-Base interactions energy: -2146.490 where: short stacking energy: -855.585 Base-Backbone interact. energy: -1.352 local terms energy: -869.760220 where: bonds (distance) C4'-P energy: -151.871 bonds (distance) P-C4' energy: -175.328 flat angles C4'-P-C4' energy: -179.237 flat angles P-C4'-P energy: -122.067 tors. eta vs tors. theta energy: -241.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -2839.500167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.500167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.500167 (E_RNA) where: Base-Base interactions energy: -2006.636 where: short stacking energy: -786.771 Base-Backbone interact. energy: -0.123 local terms energy: -832.741095 where: bonds (distance) C4'-P energy: -150.527 bonds (distance) P-C4' energy: -163.804 flat angles C4'-P-C4' energy: -177.356 flat angles P-C4'-P energy: -121.396 tors. eta vs tors. theta energy: -219.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3860.775915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3860.775915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3860.775915 (E_RNA) where: Base-Base interactions energy: -2811.186 where: short stacking energy: -1069.095 Base-Backbone interact. energy: -1.962 local terms energy: -1047.627972 where: bonds (distance) C4'-P energy: -194.749 bonds (distance) P-C4' energy: -176.360 flat angles C4'-P-C4' energy: -218.271 flat angles P-C4'-P energy: -151.120 tors. eta vs tors. theta energy: -307.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -3794.889054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3794.889054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3794.889054 (E_RNA) where: Base-Base interactions energy: -2749.872 where: short stacking energy: -1051.655 Base-Backbone interact. energy: -1.898 local terms energy: -1043.118726 where: bonds (distance) C4'-P energy: -170.409 bonds (distance) P-C4' energy: -195.442 flat angles C4'-P-C4' energy: -215.389 flat angles P-C4'-P energy: -146.203 tors. eta vs tors. theta energy: -315.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -3720.925698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3720.925698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3720.925698 (E_RNA) where: Base-Base interactions energy: -2708.449 where: short stacking energy: -1037.541 Base-Backbone interact. energy: 2.562 local terms energy: -1015.039378 where: bonds (distance) C4'-P energy: -187.190 bonds (distance) P-C4' energy: -171.112 flat angles C4'-P-C4' energy: -207.912 flat angles P-C4'-P energy: -152.518 tors. eta vs tors. theta energy: -296.307 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: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -3672.491060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3672.491060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3672.491060 (E_RNA) where: Base-Base interactions energy: -2668.664 where: short stacking energy: -1071.190 Base-Backbone interact. energy: -1.058 local terms energy: -1002.768828 where: bonds (distance) C4'-P energy: -177.721 bonds (distance) P-C4' energy: -155.414 flat angles C4'-P-C4' energy: -220.340 flat angles P-C4'-P energy: -139.513 tors. eta vs tors. theta energy: -309.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -3606.902086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3606.902086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3606.902086 (E_RNA) where: Base-Base interactions energy: -2643.600 where: short stacking energy: -1021.430 Base-Backbone interact. energy: -3.099 local terms energy: -960.203552 where: bonds (distance) C4'-P energy: -148.671 bonds (distance) P-C4' energy: -178.925 flat angles C4'-P-C4' energy: -206.344 flat angles P-C4'-P energy: -141.756 tors. eta vs tors. theta energy: -284.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -3433.148736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3433.148736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3433.148736 (E_RNA) where: Base-Base interactions energy: -2472.409 where: short stacking energy: -969.218 Base-Backbone interact. energy: -2.004 local terms energy: -958.735853 where: bonds (distance) C4'-P energy: -166.297 bonds (distance) P-C4' energy: -176.039 flat angles C4'-P-C4' energy: -200.981 flat angles P-C4'-P energy: -128.880 tors. eta vs tors. theta energy: -286.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -3290.837781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.837781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.837781 (E_RNA) where: Base-Base interactions energy: -2381.694 where: short stacking energy: -911.034 Base-Backbone interact. energy: -2.402 local terms energy: -906.741550 where: bonds (distance) C4'-P energy: -148.490 bonds (distance) P-C4' energy: -151.209 flat angles C4'-P-C4' energy: -204.000 flat angles P-C4'-P energy: -130.389 tors. eta vs tors. theta energy: -272.653 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: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -3149.913783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.913783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.913783 (E_RNA) where: Base-Base interactions energy: -2295.929 where: short stacking energy: -867.077 Base-Backbone interact. energy: -0.377 local terms energy: -853.607579 where: bonds (distance) C4'-P energy: -142.422 bonds (distance) P-C4' energy: -134.889 flat angles C4'-P-C4' energy: -179.416 flat angles P-C4'-P energy: -146.384 tors. eta vs tors. theta energy: -250.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -3097.534418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.534418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.534418 (E_RNA) where: Base-Base interactions energy: -2250.311 where: short stacking energy: -889.522 Base-Backbone interact. energy: 0.926 local terms energy: -848.149349 where: bonds (distance) C4'-P energy: -141.619 bonds (distance) P-C4' energy: -142.415 flat angles C4'-P-C4' energy: -188.726 flat angles P-C4'-P energy: -116.326 tors. eta vs tors. theta energy: -259.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -2775.406333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.406333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.406333 (E_RNA) where: Base-Base interactions energy: -2002.599 where: short stacking energy: -795.870 Base-Backbone interact. energy: -0.830 local terms energy: -771.977959 where: bonds (distance) C4'-P energy: -118.447 bonds (distance) P-C4' energy: -151.427 flat angles C4'-P-C4' energy: -156.277 flat angles P-C4'-P energy: -121.274 tors. eta vs tors. theta energy: -224.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3888.808953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3888.808953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3888.808953 (E_RNA) where: Base-Base interactions energy: -2840.840 where: short stacking energy: -1101.546 Base-Backbone interact. energy: -2.713 local terms energy: -1045.256033 where: bonds (distance) C4'-P energy: -154.169 bonds (distance) P-C4' energy: -184.022 flat angles C4'-P-C4' energy: -223.978 flat angles P-C4'-P energy: -170.397 tors. eta vs tors. theta energy: -312.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -3800.808557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3800.808557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3800.808557 (E_RNA) where: Base-Base interactions energy: -2744.879 where: short stacking energy: -1061.005 Base-Backbone interact. energy: -0.601 local terms energy: -1055.328538 where: bonds (distance) C4'-P energy: -179.078 bonds (distance) P-C4' energy: -194.526 flat angles C4'-P-C4' energy: -216.357 flat angles P-C4'-P energy: -160.642 tors. eta vs tors. theta energy: -304.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -3697.976518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3697.976518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3697.976518 (E_RNA) where: Base-Base interactions energy: -2696.426 where: short stacking energy: -1034.586 Base-Backbone interact. energy: 4.411 local terms energy: -1005.961438 where: bonds (distance) C4'-P energy: -184.343 bonds (distance) P-C4' energy: -186.629 flat angles C4'-P-C4' energy: -206.685 flat angles P-C4'-P energy: -121.626 tors. eta vs tors. theta energy: -306.679 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: 369 Temperature: 1.050000 Total energy: -3665.418611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3665.418611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3665.418611 (E_RNA) where: Base-Base interactions energy: -2667.158 where: short stacking energy: -1036.386 Base-Backbone interact. energy: 0.977 local terms energy: -999.236773 where: bonds (distance) C4'-P energy: -158.290 bonds (distance) P-C4' energy: -178.153 flat angles C4'-P-C4' energy: -195.287 flat angles P-C4'-P energy: -161.489 tors. eta vs tors. theta energy: -306.017 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: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -3591.728028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3591.728028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3591.728028 (E_RNA) where: Base-Base interactions energy: -2619.325 where: short stacking energy: -1018.014 Base-Backbone interact. energy: -1.273 local terms energy: -971.129868 where: bonds (distance) C4'-P energy: -158.731 bonds (distance) P-C4' energy: -173.030 flat angles C4'-P-C4' energy: -202.638 flat angles P-C4'-P energy: -149.385 tors. eta vs tors. theta energy: -287.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -3368.686379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.686379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.686379 (E_RNA) where: Base-Base interactions energy: -2466.366 where: short stacking energy: -965.113 Base-Backbone interact. energy: -2.627 local terms energy: -899.693167 where: bonds (distance) C4'-P energy: -126.327 bonds (distance) P-C4' energy: -162.535 flat angles C4'-P-C4' energy: -194.946 flat angles P-C4'-P energy: -130.444 tors. eta vs tors. theta energy: -285.441 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: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -3343.458765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3343.458765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3343.458765 (E_RNA) where: Base-Base interactions energy: -2435.747 where: short stacking energy: -921.929 Base-Backbone interact. energy: -1.180 local terms energy: -906.531729 where: bonds (distance) C4'-P energy: -146.692 bonds (distance) P-C4' energy: -157.325 flat angles C4'-P-C4' energy: -198.688 flat angles P-C4'-P energy: -123.007 tors. eta vs tors. theta energy: -280.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -3146.754816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.754816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.754816 (E_RNA) where: Base-Base interactions energy: -2310.234 where: short stacking energy: -876.195 Base-Backbone interact. energy: -0.330 local terms energy: -836.191395 where: bonds (distance) C4'-P energy: -138.936 bonds (distance) P-C4' energy: -133.580 flat angles C4'-P-C4' energy: -201.693 flat angles P-C4'-P energy: -106.627 tors. eta vs tors. theta energy: -255.356 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: 369 Temperature: 1.300000 Total energy: -3052.897012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.897012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.897012 (E_RNA) where: Base-Base interactions energy: -2174.372 where: short stacking energy: -838.665 Base-Backbone interact. energy: -1.192 local terms energy: -877.332263 where: bonds (distance) C4'-P energy: -167.309 bonds (distance) P-C4' energy: -153.626 flat angles C4'-P-C4' energy: -180.550 flat angles P-C4'-P energy: -129.702 tors. eta vs tors. theta energy: -246.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -2674.056726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.056726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.056726 (E_RNA) where: Base-Base interactions energy: -1923.387 where: short stacking energy: -748.544 Base-Backbone interact. energy: 0.995 local terms energy: -751.665558 where: bonds (distance) C4'-P energy: -150.785 bonds (distance) P-C4' energy: -128.652 flat angles C4'-P-C4' energy: -158.589 flat angles P-C4'-P energy: -106.526 tors. eta vs tors. theta energy: -207.114 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: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3859.712386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3859.712386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3859.712386 (E_RNA) where: Base-Base interactions energy: -2799.751 where: short stacking energy: -1071.057 Base-Backbone interact. energy: -3.071 local terms energy: -1056.890546 where: bonds (distance) C4'-P energy: -195.778 bonds (distance) P-C4' energy: -180.956 flat angles C4'-P-C4' energy: -225.191 flat angles P-C4'-P energy: -144.432 tors. eta vs tors. theta energy: -310.533 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: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -3819.039574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3819.039574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3819.039574 (E_RNA) where: Base-Base interactions energy: -2800.764 where: short stacking energy: -1051.763 Base-Backbone interact. energy: -0.932 local terms energy: -1017.342990 where: bonds (distance) C4'-P energy: -170.732 bonds (distance) P-C4' energy: -183.326 flat angles C4'-P-C4' energy: -224.848 flat angles P-C4'-P energy: -144.905 tors. eta vs tors. theta energy: -293.531 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: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -3731.845248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3731.845248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3731.845248 (E_RNA) where: Base-Base interactions energy: -2744.115 where: short stacking energy: -1043.268 Base-Backbone interact. energy: 3.411 local terms energy: -991.141437 where: bonds (distance) C4'-P energy: -173.733 bonds (distance) P-C4' energy: -181.290 flat angles C4'-P-C4' energy: -207.808 flat angles P-C4'-P energy: -128.330 tors. eta vs tors. theta energy: -299.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -3626.528935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3626.528935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3626.528935 (E_RNA) where: Base-Base interactions energy: -2669.215 where: short stacking energy: -1027.489 Base-Backbone interact. energy: -2.691 local terms energy: -954.623388 where: bonds (distance) C4'-P energy: -164.210 bonds (distance) P-C4' energy: -162.408 flat angles C4'-P-C4' energy: -193.920 flat angles P-C4'-P energy: -141.085 tors. eta vs tors. theta energy: -293.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -3552.452322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.452322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.452322 (E_RNA) where: Base-Base interactions energy: -2608.795 where: short stacking energy: -1016.019 Base-Backbone interact. energy: 7.636 local terms energy: -951.293687 where: bonds (distance) C4'-P energy: -153.513 bonds (distance) P-C4' energy: -169.842 flat angles C4'-P-C4' energy: -197.257 flat angles P-C4'-P energy: -140.429 tors. eta vs tors. theta energy: -290.252 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: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -3410.427210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3410.427210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3410.427210 (E_RNA) where: Base-Base interactions energy: -2477.803 where: short stacking energy: -965.135 Base-Backbone interact. energy: 2.500 local terms energy: -935.123303 where: bonds (distance) C4'-P energy: -140.275 bonds (distance) P-C4' energy: -172.662 flat angles C4'-P-C4' energy: -197.915 flat angles P-C4'-P energy: -132.862 tors. eta vs tors. theta energy: -291.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -3366.265411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3366.265411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3366.265411 (E_RNA) where: Base-Base interactions energy: -2479.149 where: short stacking energy: -965.617 Base-Backbone interact. energy: -2.289 local terms energy: -884.827407 where: bonds (distance) C4'-P energy: -152.791 bonds (distance) P-C4' energy: -132.317 flat angles C4'-P-C4' energy: -192.121 flat angles P-C4'-P energy: -122.429 tors. eta vs tors. theta energy: -285.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -3174.049024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.049024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.049024 (E_RNA) where: Base-Base interactions energy: -2318.408 where: short stacking energy: -908.242 Base-Backbone interact. energy: -1.931 local terms energy: -853.710422 where: bonds (distance) C4'-P energy: -129.490 bonds (distance) P-C4' energy: -151.209 flat angles C4'-P-C4' energy: -193.625 flat angles P-C4'-P energy: -117.873 tors. eta vs tors. theta energy: -261.514 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: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -3019.997197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.997197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.997197 (E_RNA) where: Base-Base interactions energy: -2198.931 where: short stacking energy: -848.253 Base-Backbone interact. energy: -2.969 local terms energy: -818.096709 where: bonds (distance) C4'-P energy: -159.543 bonds (distance) P-C4' energy: -133.228 flat angles C4'-P-C4' energy: -174.944 flat angles P-C4'-P energy: -106.804 tors. eta vs tors. theta energy: -243.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -2765.678202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.678202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.678202 (E_RNA) where: Base-Base interactions energy: -2015.753 where: short stacking energy: -790.432 Base-Backbone interact. energy: 0.526 local terms energy: -750.451582 where: bonds (distance) C4'-P energy: -124.681 bonds (distance) P-C4' energy: -155.038 flat angles C4'-P-C4' energy: -163.296 flat angles P-C4'-P energy: -102.052 tors. eta vs tors. theta energy: -205.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3862.844445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3862.844445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3862.844445 (E_RNA) where: Base-Base interactions energy: -2837.803 where: short stacking energy: -1094.409 Base-Backbone interact. energy: -2.685 local terms energy: -1022.356037 where: bonds (distance) C4'-P energy: -175.297 bonds (distance) P-C4' energy: -187.877 flat angles C4'-P-C4' energy: -218.504 flat angles P-C4'-P energy: -131.976 tors. eta vs tors. theta energy: -308.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -3823.273509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.273509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.273509 (E_RNA) where: Base-Base interactions energy: -2820.456 where: short stacking energy: -1071.679 Base-Backbone interact. energy: -1.756 local terms energy: -1001.061467 where: bonds (distance) C4'-P energy: -172.158 bonds (distance) P-C4' energy: -158.006 flat angles C4'-P-C4' energy: -223.717 flat angles P-C4'-P energy: -138.940 tors. eta vs tors. theta energy: -308.240 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: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -3703.842827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3703.842827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3703.842827 (E_RNA) where: Base-Base interactions energy: -2722.619 where: short stacking energy: -1030.302 Base-Backbone interact. energy: 3.923 local terms energy: -985.146672 where: bonds (distance) C4'-P energy: -166.980 bonds (distance) P-C4' energy: -178.107 flat angles C4'-P-C4' energy: -213.768 flat angles P-C4'-P energy: -127.386 tors. eta vs tors. theta energy: -298.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -3650.246691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.246691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.246691 (E_RNA) where: Base-Base interactions energy: -2653.443 where: short stacking energy: -1040.527 Base-Backbone interact. energy: -3.170 local terms energy: -993.633747 where: bonds (distance) C4'-P energy: -172.990 bonds (distance) P-C4' energy: -168.607 flat angles C4'-P-C4' energy: -202.034 flat angles P-C4'-P energy: -138.947 tors. eta vs tors. theta energy: -311.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -3517.598438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3517.598438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3517.598438 (E_RNA) where: Base-Base interactions energy: -2586.310 where: short stacking energy: -988.642 Base-Backbone interact. energy: 1.430 local terms energy: -932.718194 where: bonds (distance) C4'-P energy: -154.513 bonds (distance) P-C4' energy: -168.826 flat angles C4'-P-C4' energy: -186.912 flat angles P-C4'-P energy: -143.760 tors. eta vs tors. theta energy: -278.706 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: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -3429.613521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3429.613521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3429.613521 (E_RNA) where: Base-Base interactions energy: -2498.066 where: short stacking energy: -957.006 Base-Backbone interact. energy: -0.593 local terms energy: -930.955011 where: bonds (distance) C4'-P energy: -182.516 bonds (distance) P-C4' energy: -158.954 flat angles C4'-P-C4' energy: -186.159 flat angles P-C4'-P energy: -115.066 tors. eta vs tors. theta energy: -288.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -3396.996650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.996650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.996650 (E_RNA) where: Base-Base interactions energy: -2459.527 where: short stacking energy: -966.777 Base-Backbone interact. energy: 0.034 local terms energy: -937.503604 where: bonds (distance) C4'-P energy: -163.227 bonds (distance) P-C4' energy: -168.098 flat angles C4'-P-C4' energy: -188.910 flat angles P-C4'-P energy: -136.860 tors. eta vs tors. theta energy: -280.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -3174.425619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.425619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.425619 (E_RNA) where: Base-Base interactions energy: -2326.990 where: short stacking energy: -906.367 Base-Backbone interact. energy: 1.130 local terms energy: -848.565356 where: bonds (distance) C4'-P energy: -131.314 bonds (distance) P-C4' energy: -150.323 flat angles C4'-P-C4' energy: -185.153 flat angles P-C4'-P energy: -113.868 tors. eta vs tors. theta energy: -267.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -3020.051522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.051522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.051522 (E_RNA) where: Base-Base interactions energy: -2187.215 where: short stacking energy: -839.849 Base-Backbone interact. energy: 1.296 local terms energy: -834.133085 where: bonds (distance) C4'-P energy: -142.043 bonds (distance) P-C4' energy: -149.755 flat angles C4'-P-C4' energy: -171.813 flat angles P-C4'-P energy: -125.342 tors. eta vs tors. theta energy: -245.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -2757.082813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.082813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.082813 (E_RNA) where: Base-Base interactions energy: -1974.425 where: short stacking energy: -788.792 Base-Backbone interact. energy: 2.020 local terms energy: -784.677653 where: bonds (distance) C4'-P energy: -168.941 bonds (distance) P-C4' energy: -135.444 flat angles C4'-P-C4' energy: -172.835 flat angles P-C4'-P energy: -93.314 tors. eta vs tors. theta energy: -214.144 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: 1 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3898.347552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.347552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3898.347552 (E_RNA) where: Base-Base interactions energy: -2849.487 where: short stacking energy: -1108.047 Base-Backbone interact. energy: -2.654 local terms energy: -1046.205746 where: bonds (distance) C4'-P energy: -180.518 bonds (distance) P-C4' energy: -182.389 flat angles C4'-P-C4' energy: -221.065 flat angles P-C4'-P energy: -150.152 tors. eta vs tors. theta energy: -312.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -3773.196510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3773.196510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3773.196510 (E_RNA) where: Base-Base interactions energy: -2768.908 where: short stacking energy: -1067.179 Base-Backbone interact. energy: 5.334 local terms energy: -1009.621863 where: bonds (distance) C4'-P energy: -188.081 bonds (distance) P-C4' energy: -182.370 flat angles C4'-P-C4' energy: -203.622 flat angles P-C4'-P energy: -132.621 tors. eta vs tors. theta energy: -302.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -3689.316701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3689.316701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3689.316701 (E_RNA) where: Base-Base interactions energy: -2694.699 where: short stacking energy: -1033.021 Base-Backbone interact. energy: -0.095 local terms energy: -994.523249 where: bonds (distance) C4'-P energy: -184.217 bonds (distance) P-C4' energy: -169.579 flat angles C4'-P-C4' energy: -199.899 flat angles P-C4'-P energy: -142.673 tors. eta vs tors. theta energy: -298.154 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: 372 Temperature: 1.050000 Total energy: -3610.369055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3610.369055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3610.369055 (E_RNA) where: Base-Base interactions energy: -2612.987 where: short stacking energy: -1009.916 Base-Backbone interact. energy: -2.016 local terms energy: -995.366277 where: bonds (distance) C4'-P energy: -178.086 bonds (distance) P-C4' energy: -173.468 flat angles C4'-P-C4' energy: -209.750 flat angles P-C4'-P energy: -138.806 tors. eta vs tors. theta energy: -295.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -3510.767010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3510.767010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3510.767010 (E_RNA) where: Base-Base interactions energy: -2587.300 where: short stacking energy: -1004.746 Base-Backbone interact. energy: -3.413 local terms energy: -920.054913 where: bonds (distance) C4'-P energy: -146.806 bonds (distance) P-C4' energy: -144.332 flat angles C4'-P-C4' energy: -199.741 flat angles P-C4'-P energy: -149.391 tors. eta vs tors. theta energy: -279.785 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: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -3435.609022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.609022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.609022 (E_RNA) where: Base-Base interactions energy: -2505.860 where: short stacking energy: -986.567 Base-Backbone interact. energy: -0.850 local terms energy: -928.899262 where: bonds (distance) C4'-P energy: -152.275 bonds (distance) P-C4' energy: -159.061 flat angles C4'-P-C4' energy: -190.041 flat angles P-C4'-P energy: -133.515 tors. eta vs tors. theta energy: -294.008 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: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -3364.322068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.322068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.322068 (E_RNA) where: Base-Base interactions energy: -2454.632 where: short stacking energy: -957.575 Base-Backbone interact. energy: -2.126 local terms energy: -907.564173 where: bonds (distance) C4'-P energy: -142.809 bonds (distance) P-C4' energy: -167.096 flat angles C4'-P-C4' energy: -197.835 flat angles P-C4'-P energy: -117.330 tors. eta vs tors. theta energy: -282.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -3215.641940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.641940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.641940 (E_RNA) where: Base-Base interactions energy: -2328.663 where: short stacking energy: -866.365 Base-Backbone interact. energy: -1.793 local terms energy: -885.185726 where: bonds (distance) C4'-P energy: -150.080 bonds (distance) P-C4' energy: -142.364 flat angles C4'-P-C4' energy: -191.626 flat angles P-C4'-P energy: -128.933 tors. eta vs tors. theta energy: -272.182 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: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -2955.264309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.264309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.264309 (E_RNA) where: Base-Base interactions energy: -2143.261 where: short stacking energy: -827.152 Base-Backbone interact. energy: 2.636 local terms energy: -814.638906 where: bonds (distance) C4'-P energy: -123.732 bonds (distance) P-C4' energy: -148.652 flat angles C4'-P-C4' energy: -183.152 flat angles P-C4'-P energy: -106.144 tors. eta vs tors. theta energy: -252.959 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: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -2771.536033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.536033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.536033 (E_RNA) where: Base-Base interactions energy: -1990.269 where: short stacking energy: -755.645 Base-Backbone interact. energy: 2.681 local terms energy: -783.947756 where: bonds (distance) C4'-P energy: -158.803 bonds (distance) P-C4' energy: -146.605 flat angles C4'-P-C4' energy: -160.376 flat angles P-C4'-P energy: -98.402 tors. eta vs tors. theta energy: -219.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3871.321689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3871.321689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3871.321689 (E_RNA) where: Base-Base interactions energy: -2829.980 where: short stacking energy: -1072.188 Base-Backbone interact. energy: -3.313 local terms energy: -1038.029293 where: bonds (distance) C4'-P energy: -187.866 bonds (distance) P-C4' energy: -175.339 flat angles C4'-P-C4' energy: -227.394 flat angles P-C4'-P energy: -145.897 tors. eta vs tors. theta energy: -301.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3775.336111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3775.336111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3775.336111 (E_RNA) where: Base-Base interactions energy: -2770.914 where: short stacking energy: -1066.713 Base-Backbone interact. energy: 0.407 local terms energy: -1004.829014 where: bonds (distance) C4'-P energy: -178.608 bonds (distance) P-C4' energy: -162.386 flat angles C4'-P-C4' energy: -220.738 flat angles P-C4'-P energy: -137.577 tors. eta vs tors. theta energy: -305.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -3683.041656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3683.041656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3683.041656 (E_RNA) where: Base-Base interactions energy: -2691.166 where: short stacking energy: -1030.687 Base-Backbone interact. energy: 6.783 local terms energy: -998.658839 where: bonds (distance) C4'-P energy: -163.417 bonds (distance) P-C4' energy: -177.679 flat angles C4'-P-C4' energy: -215.224 flat angles P-C4'-P energy: -139.638 tors. eta vs tors. theta energy: -302.701 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: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -3652.653974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3652.653974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3652.653974 (E_RNA) where: Base-Base interactions energy: -2701.655 where: short stacking energy: -1038.980 Base-Backbone interact. energy: -1.206 local terms energy: -949.792332 where: bonds (distance) C4'-P energy: -137.740 bonds (distance) P-C4' energy: -156.925 flat angles C4'-P-C4' energy: -212.653 flat angles P-C4'-P energy: -138.705 tors. eta vs tors. theta energy: -303.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -3544.893674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3544.893674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3544.893674 (E_RNA) where: Base-Base interactions energy: -2618.200 where: short stacking energy: -1018.577 Base-Backbone interact. energy: 1.736 local terms energy: -928.429657 where: bonds (distance) C4'-P energy: -171.818 bonds (distance) P-C4' energy: -152.725 flat angles C4'-P-C4' energy: -188.963 flat angles P-C4'-P energy: -124.219 tors. eta vs tors. theta energy: -290.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -3436.702499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3436.702499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3436.702499 (E_RNA) where: Base-Base interactions energy: -2484.721 where: short stacking energy: -969.874 Base-Backbone interact. energy: 0.147 local terms energy: -952.128742 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -179.362 flat angles C4'-P-C4' energy: -196.453 flat angles P-C4'-P energy: -140.000 tors. eta vs tors. theta energy: -293.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -3352.932096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.932096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.932096 (E_RNA) where: Base-Base interactions energy: -2437.994 where: short stacking energy: -922.745 Base-Backbone interact. energy: -1.283 local terms energy: -913.655296 where: bonds (distance) C4'-P energy: -151.660 bonds (distance) P-C4' energy: -164.308 flat angles C4'-P-C4' energy: -199.199 flat angles P-C4'-P energy: -129.826 tors. eta vs tors. theta energy: -268.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -3202.163133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.163133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.163133 (E_RNA) where: Base-Base interactions energy: -2315.678 where: short stacking energy: -896.529 Base-Backbone interact. energy: -0.516 local terms energy: -885.969201 where: bonds (distance) C4'-P energy: -147.625 bonds (distance) P-C4' energy: -159.414 flat angles C4'-P-C4' energy: -187.628 flat angles P-C4'-P energy: -129.567 tors. eta vs tors. theta energy: -261.735 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: 373 Temperature: 1.300000 Total energy: -2955.073005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.073005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.073005 (E_RNA) where: Base-Base interactions energy: -2122.891 where: short stacking energy: -834.956 Base-Backbone interact. energy: 3.124 local terms energy: -835.305394 where: bonds (distance) C4'-P energy: -142.622 bonds (distance) P-C4' energy: -143.415 flat angles C4'-P-C4' energy: -190.447 flat angles P-C4'-P energy: -133.475 tors. eta vs tors. theta energy: -225.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -2861.375796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.375796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.375796 (E_RNA) where: Base-Base interactions energy: -2023.392 where: short stacking energy: -777.456 Base-Backbone interact. energy: -2.715 local terms energy: -835.268735 where: bonds (distance) C4'-P energy: -138.318 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -190.536 flat angles P-C4'-P energy: -121.885 tors. eta vs tors. theta energy: -242.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3881.268230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3881.268230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3881.268230 (E_RNA) where: Base-Base interactions energy: -2827.466 where: short stacking energy: -1079.260 Base-Backbone interact. energy: -0.837 local terms energy: -1052.964695 where: bonds (distance) C4'-P energy: -178.418 bonds (distance) P-C4' energy: -170.207 flat angles C4'-P-C4' energy: -236.689 flat angles P-C4'-P energy: -151.914 tors. eta vs tors. theta energy: -315.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -3808.816315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3808.816315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3808.816315 (E_RNA) where: Base-Base interactions energy: -2754.184 where: short stacking energy: -1079.852 Base-Backbone interact. energy: -1.965 local terms energy: -1052.666665 where: bonds (distance) C4'-P energy: -185.000 bonds (distance) P-C4' energy: -193.117 flat angles C4'-P-C4' energy: -227.997 flat angles P-C4'-P energy: -141.788 tors. eta vs tors. theta energy: -304.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -3678.666793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3678.666793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3678.666793 (E_RNA) where: Base-Base interactions energy: -2696.990 where: short stacking energy: -1051.012 Base-Backbone interact. energy: 2.289 local terms energy: -983.966242 where: bonds (distance) C4'-P energy: -173.156 bonds (distance) P-C4' energy: -165.257 flat angles C4'-P-C4' energy: -216.305 flat angles P-C4'-P energy: -140.694 tors. eta vs tors. theta energy: -288.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -3629.802847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3629.802847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3629.802847 (E_RNA) where: Base-Base interactions energy: -2648.197 where: short stacking energy: -1039.757 Base-Backbone interact. energy: 1.412 local terms energy: -983.017726 where: bonds (distance) C4'-P energy: -169.299 bonds (distance) P-C4' energy: -167.401 flat angles C4'-P-C4' energy: -199.533 flat angles P-C4'-P energy: -141.515 tors. eta vs tors. theta energy: -305.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -3587.449071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3587.449071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3587.449071 (E_RNA) where: Base-Base interactions energy: -2675.899 where: short stacking energy: -1034.051 Base-Backbone interact. energy: -0.753 local terms energy: -910.797132 where: bonds (distance) C4'-P energy: -158.303 bonds (distance) P-C4' energy: -136.559 flat angles C4'-P-C4' energy: -199.791 flat angles P-C4'-P energy: -132.831 tors. eta vs tors. theta energy: -283.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -3403.452533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3403.452533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3403.452533 (E_RNA) where: Base-Base interactions energy: -2465.580 where: short stacking energy: -959.773 Base-Backbone interact. energy: 0.172 local terms energy: -938.044543 where: bonds (distance) C4'-P energy: -158.283 bonds (distance) P-C4' energy: -154.380 flat angles C4'-P-C4' energy: -205.479 flat angles P-C4'-P energy: -138.133 tors. eta vs tors. theta energy: -281.769 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: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -3381.415053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3381.415053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3381.415053 (E_RNA) where: Base-Base interactions energy: -2471.420 where: short stacking energy: -957.134 Base-Backbone interact. energy: 0.116 local terms energy: -910.110862 where: bonds (distance) C4'-P energy: -133.382 bonds (distance) P-C4' energy: -165.902 flat angles C4'-P-C4' energy: -202.641 flat angles P-C4'-P energy: -116.847 tors. eta vs tors. theta energy: -291.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -3206.889364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.889364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.889364 (E_RNA) where: Base-Base interactions energy: -2345.993 where: short stacking energy: -908.854 Base-Backbone interact. energy: -0.654 local terms energy: -860.242525 where: bonds (distance) C4'-P energy: -160.594 bonds (distance) P-C4' energy: -118.457 flat angles C4'-P-C4' energy: -186.292 flat angles P-C4'-P energy: -124.739 tors. eta vs tors. theta energy: -270.160 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: 374 Temperature: 1.300000 Total energy: -2950.944324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.944324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.944324 (E_RNA) where: Base-Base interactions energy: -2132.570 where: short stacking energy: -856.179 Base-Backbone interact. energy: -0.491 local terms energy: -817.883405 where: bonds (distance) C4'-P energy: -154.990 bonds (distance) P-C4' energy: -146.414 flat angles C4'-P-C4' energy: -166.491 flat angles P-C4'-P energy: -105.118 tors. eta vs tors. theta energy: -244.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -2857.135644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.135644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.135644 (E_RNA) where: Base-Base interactions energy: -2034.605 where: short stacking energy: -801.340 Base-Backbone interact. energy: 3.841 local terms energy: -826.371791 where: bonds (distance) C4'-P energy: -169.870 bonds (distance) P-C4' energy: -143.992 flat angles C4'-P-C4' energy: -156.134 flat angles P-C4'-P energy: -120.585 tors. eta vs tors. theta energy: -235.790 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: 1 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3873.032898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3873.032898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3873.032898 (E_RNA) where: Base-Base interactions energy: -2811.139 where: short stacking energy: -1063.781 Base-Backbone interact. energy: -1.863 local terms energy: -1060.030918 where: bonds (distance) C4'-P energy: -189.467 bonds (distance) P-C4' energy: -183.821 flat angles C4'-P-C4' energy: -215.301 flat angles P-C4'-P energy: -161.444 tors. eta vs tors. theta energy: -309.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -3799.700945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3799.700945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3799.700945 (E_RNA) where: Base-Base interactions energy: -2781.206 where: short stacking energy: -1077.811 Base-Backbone interact. energy: -2.976 local terms energy: -1015.519653 where: bonds (distance) C4'-P energy: -166.668 bonds (distance) P-C4' energy: -172.303 flat angles C4'-P-C4' energy: -221.027 flat angles P-C4'-P energy: -144.853 tors. eta vs tors. theta energy: -310.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -3656.158983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.158983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.158983 (E_RNA) where: Base-Base interactions energy: -2654.121 where: short stacking energy: -1018.310 Base-Backbone interact. energy: 11.192 local terms energy: -1013.229376 where: bonds (distance) C4'-P energy: -178.453 bonds (distance) P-C4' energy: -166.607 flat angles C4'-P-C4' energy: -222.010 flat angles P-C4'-P energy: -147.884 tors. eta vs tors. theta energy: -298.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -3681.966480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3681.966480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3681.966480 (E_RNA) where: Base-Base interactions energy: -2677.079 where: short stacking energy: -1056.840 Base-Backbone interact. energy: -1.680 local terms energy: -1003.207410 where: bonds (distance) C4'-P energy: -171.168 bonds (distance) P-C4' energy: -167.953 flat angles C4'-P-C4' energy: -212.480 flat angles P-C4'-P energy: -143.020 tors. eta vs tors. theta energy: -308.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -3592.462493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3592.462493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3592.462493 (E_RNA) where: Base-Base interactions energy: -2606.015 where: short stacking energy: -1005.057 Base-Backbone interact. energy: -1.531 local terms energy: -984.916107 where: bonds (distance) C4'-P energy: -184.149 bonds (distance) P-C4' energy: -160.486 flat angles C4'-P-C4' energy: -205.810 flat angles P-C4'-P energy: -136.327 tors. eta vs tors. theta energy: -298.145 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: 375 Temperature: 1.150000 Total energy: -3435.991515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.991515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.991515 (E_RNA) where: Base-Base interactions energy: -2494.556 where: short stacking energy: -951.507 Base-Backbone interact. energy: 0.860 local terms energy: -942.295348 where: bonds (distance) C4'-P energy: -160.610 bonds (distance) P-C4' energy: -172.120 flat angles C4'-P-C4' energy: -184.303 flat angles P-C4'-P energy: -133.343 tors. eta vs tors. theta energy: -291.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -3348.746341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3348.746341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3348.746341 (E_RNA) where: Base-Base interactions energy: -2454.534 where: short stacking energy: -939.834 Base-Backbone interact. energy: -2.898 local terms energy: -891.314412 where: bonds (distance) C4'-P energy: -144.184 bonds (distance) P-C4' energy: -153.738 flat angles C4'-P-C4' energy: -197.091 flat angles P-C4'-P energy: -128.715 tors. eta vs tors. theta energy: -267.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -3226.054189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.054189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.054189 (E_RNA) where: Base-Base interactions energy: -2349.983 where: short stacking energy: -905.414 Base-Backbone interact. energy: -1.154 local terms energy: -874.917217 where: bonds (distance) C4'-P energy: -158.824 bonds (distance) P-C4' energy: -137.848 flat angles C4'-P-C4' energy: -191.410 flat angles P-C4'-P energy: -116.461 tors. eta vs tors. theta energy: -270.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -2962.781319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.781319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.781319 (E_RNA) where: Base-Base interactions energy: -2140.710 where: short stacking energy: -838.572 Base-Backbone interact. energy: 2.766 local terms energy: -824.837194 where: bonds (distance) C4'-P energy: -147.419 bonds (distance) P-C4' energy: -144.223 flat angles C4'-P-C4' energy: -190.501 flat angles P-C4'-P energy: -113.939 tors. eta vs tors. theta energy: -228.756 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: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -2801.822825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.822825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.822825 (E_RNA) where: Base-Base interactions energy: -2004.140 where: short stacking energy: -795.973 Base-Backbone interact. energy: -0.371 local terms energy: -797.312433 where: bonds (distance) C4'-P energy: -144.437 bonds (distance) P-C4' energy: -141.882 flat angles C4'-P-C4' energy: -176.614 flat angles P-C4'-P energy: -105.155 tors. eta vs tors. theta energy: -229.224 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: 1, replica: 1 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3901.448108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3901.448108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3901.448108 (E_RNA) where: Base-Base interactions energy: -2867.841 where: short stacking energy: -1087.938 Base-Backbone interact. energy: -0.068 local terms energy: -1033.539412 where: bonds (distance) C4'-P energy: -170.043 bonds (distance) P-C4' energy: -187.077 flat angles C4'-P-C4' energy: -219.617 flat angles P-C4'-P energy: -144.373 tors. eta vs tors. theta energy: -312.429 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: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -3800.778166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3800.778166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3800.778166 (E_RNA) where: Base-Base interactions energy: -2756.779 where: short stacking energy: -1088.180 Base-Backbone interact. energy: -2.957 local terms energy: -1041.042140 where: bonds (distance) C4'-P energy: -175.943 bonds (distance) P-C4' energy: -186.358 flat angles C4'-P-C4' energy: -207.553 flat angles P-C4'-P energy: -157.106 tors. eta vs tors. theta energy: -314.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -3681.981073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3681.981073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3681.981073 (E_RNA) where: Base-Base interactions energy: -2682.411 where: short stacking energy: -1035.520 Base-Backbone interact. energy: 3.734 local terms energy: -1003.303959 where: bonds (distance) C4'-P energy: -172.788 bonds (distance) P-C4' energy: -172.546 flat angles C4'-P-C4' energy: -203.326 flat angles P-C4'-P energy: -150.923 tors. eta vs tors. theta energy: -303.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -3676.478841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.478841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.478841 (E_RNA) where: Base-Base interactions energy: -2699.531 where: short stacking energy: -1036.857 Base-Backbone interact. energy: -2.978 local terms energy: -973.969831 where: bonds (distance) C4'-P energy: -159.960 bonds (distance) P-C4' energy: -172.629 flat angles C4'-P-C4' energy: -207.256 flat angles P-C4'-P energy: -136.443 tors. eta vs tors. theta energy: -297.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -3625.756134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.756134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.756134 (E_RNA) where: Base-Base interactions energy: -2679.124 where: short stacking energy: -1024.838 Base-Backbone interact. energy: 2.583 local terms energy: -949.215113 where: bonds (distance) C4'-P energy: -148.032 bonds (distance) P-C4' energy: -154.176 flat angles C4'-P-C4' energy: -199.039 flat angles P-C4'-P energy: -141.590 tors. eta vs tors. theta energy: -306.378 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: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -3437.303371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.303371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.303371 (E_RNA) where: Base-Base interactions energy: -2515.583 where: short stacking energy: -969.593 Base-Backbone interact. energy: -0.397 local terms energy: -921.322807 where: bonds (distance) C4'-P energy: -150.889 bonds (distance) P-C4' energy: -157.884 flat angles C4'-P-C4' energy: -198.446 flat angles P-C4'-P energy: -123.668 tors. eta vs tors. theta energy: -290.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -3390.877747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3390.877747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3390.877747 (E_RNA) where: Base-Base interactions energy: -2480.491 where: short stacking energy: -973.209 Base-Backbone interact. energy: -0.583 local terms energy: -909.804252 where: bonds (distance) C4'-P energy: -133.046 bonds (distance) P-C4' energy: -148.377 flat angles C4'-P-C4' energy: -209.140 flat angles P-C4'-P energy: -131.454 tors. eta vs tors. theta energy: -287.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -3250.418139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.418139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.418139 (E_RNA) where: Base-Base interactions energy: -2379.992 where: short stacking energy: -904.803 Base-Backbone interact. energy: 5.445 local terms energy: -875.871244 where: bonds (distance) C4'-P energy: -155.464 bonds (distance) P-C4' energy: -134.653 flat angles C4'-P-C4' energy: -197.198 flat angles P-C4'-P energy: -122.245 tors. eta vs tors. theta energy: -266.312 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: 376 Temperature: 1.300000 Total energy: -2978.394392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.394392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.394392 (E_RNA) where: Base-Base interactions energy: -2159.098 where: short stacking energy: -836.708 Base-Backbone interact. energy: 2.961 local terms energy: -822.257034 where: bonds (distance) C4'-P energy: -149.002 bonds (distance) P-C4' energy: -139.212 flat angles C4'-P-C4' energy: -182.780 flat angles P-C4'-P energy: -119.908 tors. eta vs tors. theta energy: -231.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -2858.335123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.335123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.335123 (E_RNA) where: Base-Base interactions energy: -2061.920 where: short stacking energy: -802.218 Base-Backbone interact. energy: -0.799 local terms energy: -795.615712 where: bonds (distance) C4'-P energy: -148.779 bonds (distance) P-C4' energy: -128.663 flat angles C4'-P-C4' energy: -158.473 flat angles P-C4'-P energy: -120.988 tors. eta vs tors. theta energy: -238.713 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: 1 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3912.537056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3912.537056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3912.537056 (E_RNA) where: Base-Base interactions energy: -2860.348 where: short stacking energy: -1117.275 Base-Backbone interact. energy: -0.969 local terms energy: -1051.220295 where: bonds (distance) C4'-P energy: -181.698 bonds (distance) P-C4' energy: -190.384 flat angles C4'-P-C4' energy: -216.157 flat angles P-C4'-P energy: -152.053 tors. eta vs tors. theta energy: -310.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -3777.714909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.714909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.714909 (E_RNA) where: Base-Base interactions energy: -2772.027 where: short stacking energy: -1085.288 Base-Backbone interact. energy: -2.783 local terms energy: -1002.905694 where: bonds (distance) C4'-P energy: -160.557 bonds (distance) P-C4' energy: -169.521 flat angles C4'-P-C4' energy: -223.332 flat angles P-C4'-P energy: -131.893 tors. eta vs tors. theta energy: -317.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -3676.061313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.061313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.061313 (E_RNA) where: Base-Base interactions energy: -2680.446 where: short stacking energy: -1024.389 Base-Backbone interact. energy: 3.112 local terms energy: -998.727185 where: bonds (distance) C4'-P energy: -173.673 bonds (distance) P-C4' energy: -176.193 flat angles C4'-P-C4' energy: -213.130 flat angles P-C4'-P energy: -149.224 tors. eta vs tors. theta energy: -286.507 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: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -3647.831784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3647.831784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3647.831784 (E_RNA) where: Base-Base interactions energy: -2707.133 where: short stacking energy: -1040.502 Base-Backbone interact. energy: 4.295 local terms energy: -944.994226 where: bonds (distance) C4'-P energy: -147.347 bonds (distance) P-C4' energy: -145.945 flat angles C4'-P-C4' energy: -208.379 flat angles P-C4'-P energy: -138.685 tors. eta vs tors. theta energy: -304.638 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: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -3578.292224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3578.292224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3578.292224 (E_RNA) where: Base-Base interactions energy: -2625.178 where: short stacking energy: -1012.692 Base-Backbone interact. energy: 3.878 local terms energy: -956.992566 where: bonds (distance) C4'-P energy: -166.908 bonds (distance) P-C4' energy: -154.754 flat angles C4'-P-C4' energy: -206.349 flat angles P-C4'-P energy: -125.736 tors. eta vs tors. theta energy: -303.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -3419.666261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3419.666261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3419.666261 (E_RNA) where: Base-Base interactions energy: -2488.986 where: short stacking energy: -953.716 Base-Backbone interact. energy: 1.704 local terms energy: -932.383807 where: bonds (distance) C4'-P energy: -167.291 bonds (distance) P-C4' energy: -162.080 flat angles C4'-P-C4' energy: -192.036 flat angles P-C4'-P energy: -128.924 tors. eta vs tors. theta energy: -282.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -3385.931179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3385.931179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3385.931179 (E_RNA) where: Base-Base interactions energy: -2468.353 where: short stacking energy: -954.673 Base-Backbone interact. energy: 2.161 local terms energy: -919.739392 where: bonds (distance) C4'-P energy: -153.549 bonds (distance) P-C4' energy: -152.074 flat angles C4'-P-C4' energy: -197.290 flat angles P-C4'-P energy: -122.844 tors. eta vs tors. theta energy: -293.982 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: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -3266.691528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.691528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.691528 (E_RNA) where: Base-Base interactions energy: -2394.319 where: short stacking energy: -935.322 Base-Backbone interact. energy: -0.261 local terms energy: -872.111507 where: bonds (distance) C4'-P energy: -132.082 bonds (distance) P-C4' energy: -142.616 flat angles C4'-P-C4' energy: -194.563 flat angles P-C4'-P energy: -126.256 tors. eta vs tors. theta energy: -276.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -2973.192522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.192522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.192522 (E_RNA) where: Base-Base interactions energy: -2161.911 where: short stacking energy: -851.985 Base-Backbone interact. energy: 0.570 local terms energy: -811.851815 where: bonds (distance) C4'-P energy: -145.605 bonds (distance) P-C4' energy: -146.321 flat angles C4'-P-C4' energy: -163.444 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -243.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -2866.552164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.552164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.552164 (E_RNA) where: Base-Base interactions energy: -2095.781 where: short stacking energy: -807.468 Base-Backbone interact. energy: -2.067 local terms energy: -768.704459 where: bonds (distance) C4'-P energy: -148.845 bonds (distance) P-C4' energy: -141.593 flat angles C4'-P-C4' energy: -166.323 flat angles P-C4'-P energy: -84.135 tors. eta vs tors. theta energy: -227.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3885.692890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3885.692890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3885.692890 (E_RNA) where: Base-Base interactions energy: -2827.818 where: short stacking energy: -1078.504 Base-Backbone interact. energy: -3.627 local terms energy: -1054.248030 where: bonds (distance) C4'-P energy: -189.046 bonds (distance) P-C4' energy: -171.298 flat angles C4'-P-C4' energy: -222.046 flat angles P-C4'-P energy: -157.166 tors. eta vs tors. theta energy: -314.692 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: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3790.256452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.256452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.256452 (E_RNA) where: Base-Base interactions energy: -2745.175 where: short stacking energy: -1046.012 Base-Backbone interact. energy: -1.092 local terms energy: -1043.988834 where: bonds (distance) C4'-P energy: -183.302 bonds (distance) P-C4' energy: -190.275 flat angles C4'-P-C4' energy: -215.822 flat angles P-C4'-P energy: -149.123 tors. eta vs tors. theta energy: -305.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -3664.867656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3664.867656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3664.867656 (E_RNA) where: Base-Base interactions energy: -2659.787 where: short stacking energy: -1014.183 Base-Backbone interact. energy: 6.721 local terms energy: -1011.801946 where: bonds (distance) C4'-P energy: -167.398 bonds (distance) P-C4' energy: -183.342 flat angles C4'-P-C4' energy: -218.914 flat angles P-C4'-P energy: -146.792 tors. eta vs tors. theta energy: -295.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -3637.180924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3637.180924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3637.180924 (E_RNA) where: Base-Base interactions energy: -2677.718 where: short stacking energy: -1026.912 Base-Backbone interact. energy: -0.615 local terms energy: -958.847285 where: bonds (distance) C4'-P energy: -158.077 bonds (distance) P-C4' energy: -169.379 flat angles C4'-P-C4' energy: -217.265 flat angles P-C4'-P energy: -118.007 tors. eta vs tors. theta energy: -296.120 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: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -3598.479597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.479597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.479597 (E_RNA) where: Base-Base interactions energy: -2627.682 where: short stacking energy: -1020.304 Base-Backbone interact. energy: 0.882 local terms energy: -971.680081 where: bonds (distance) C4'-P energy: -162.843 bonds (distance) P-C4' energy: -158.826 flat angles C4'-P-C4' energy: -212.298 flat angles P-C4'-P energy: -130.791 tors. eta vs tors. theta energy: -306.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -3463.573534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3463.573534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3463.573534 (E_RNA) where: Base-Base interactions energy: -2519.201 where: short stacking energy: -971.240 Base-Backbone interact. energy: -2.034 local terms energy: -942.338658 where: bonds (distance) C4'-P energy: -165.921 bonds (distance) P-C4' energy: -160.221 flat angles C4'-P-C4' energy: -195.920 flat angles P-C4'-P energy: -129.081 tors. eta vs tors. theta energy: -291.196 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: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -3371.131773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3371.131773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3371.131773 (E_RNA) where: Base-Base interactions energy: -2459.062 where: short stacking energy: -956.568 Base-Backbone interact. energy: -2.428 local terms energy: -909.641127 where: bonds (distance) C4'-P energy: -151.653 bonds (distance) P-C4' energy: -162.573 flat angles C4'-P-C4' energy: -182.374 flat angles P-C4'-P energy: -126.631 tors. eta vs tors. theta energy: -286.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -3312.544819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.544819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.544819 (E_RNA) where: Base-Base interactions energy: -2410.310 where: short stacking energy: -945.414 Base-Backbone interact. energy: -2.820 local terms energy: -899.414252 where: bonds (distance) C4'-P energy: -147.852 bonds (distance) P-C4' energy: -154.444 flat angles C4'-P-C4' energy: -175.180 flat angles P-C4'-P energy: -126.543 tors. eta vs tors. theta energy: -295.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -2985.700752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.700752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.700752 (E_RNA) where: Base-Base interactions energy: -2159.834 where: short stacking energy: -852.470 Base-Backbone interact. energy: 1.170 local terms energy: -827.036703 where: bonds (distance) C4'-P energy: -131.994 bonds (distance) P-C4' energy: -155.811 flat angles C4'-P-C4' energy: -180.085 flat angles P-C4'-P energy: -116.822 tors. eta vs tors. theta energy: -242.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -2857.418331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.418331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.418331 (E_RNA) where: Base-Base interactions energy: -2048.911 where: short stacking energy: -815.009 Base-Backbone interact. energy: -2.875 local terms energy: -805.632651 where: bonds (distance) C4'-P energy: -144.559 bonds (distance) P-C4' energy: -154.287 flat angles C4'-P-C4' energy: -172.622 flat angles P-C4'-P energy: -103.582 tors. eta vs tors. theta energy: -230.583 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: 1 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3907.536563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3907.536563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3907.536563 (E_RNA) where: Base-Base interactions energy: -2851.386 where: short stacking energy: -1093.934 Base-Backbone interact. energy: 2.447 local terms energy: -1058.597155 where: bonds (distance) C4'-P energy: -181.999 bonds (distance) P-C4' energy: -185.851 flat angles C4'-P-C4' energy: -229.211 flat angles P-C4'-P energy: -145.313 tors. eta vs tors. theta energy: -316.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -3792.087213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3792.087213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3792.087213 (E_RNA) where: Base-Base interactions energy: -2777.047 where: short stacking energy: -1060.741 Base-Backbone interact. energy: 1.522 local terms energy: -1016.562436 where: bonds (distance) C4'-P energy: -183.185 bonds (distance) P-C4' energy: -172.367 flat angles C4'-P-C4' energy: -210.214 flat angles P-C4'-P energy: -148.247 tors. eta vs tors. theta energy: -302.548 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: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -3676.620560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.620560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.620560 (E_RNA) where: Base-Base interactions energy: -2680.390 where: short stacking energy: -1027.211 Base-Backbone interact. energy: 3.549 local terms energy: -999.779305 where: bonds (distance) C4'-P energy: -175.254 bonds (distance) P-C4' energy: -177.782 flat angles C4'-P-C4' energy: -211.106 flat angles P-C4'-P energy: -140.459 tors. eta vs tors. theta energy: -295.178 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: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -3625.839187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.839187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.839187 (E_RNA) where: Base-Base interactions energy: -2625.186 where: short stacking energy: -1004.182 Base-Backbone interact. energy: 0.447 local terms energy: -1001.099463 where: bonds (distance) C4'-P energy: -171.285 bonds (distance) P-C4' energy: -176.523 flat angles C4'-P-C4' energy: -205.506 flat angles P-C4'-P energy: -145.582 tors. eta vs tors. theta energy: -302.204 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: 5, replica: 3 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -3568.876072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.876072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.876072 (E_RNA) where: Base-Base interactions energy: -2606.834 where: short stacking energy: -1009.616 Base-Backbone interact. energy: -0.095 local terms energy: -961.946667 where: bonds (distance) C4'-P energy: -167.859 bonds (distance) P-C4' energy: -171.450 flat angles C4'-P-C4' energy: -196.850 flat angles P-C4'-P energy: -134.493 tors. eta vs tors. theta energy: -291.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -3424.943965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3424.943965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3424.943965 (E_RNA) where: Base-Base interactions energy: -2512.274 where: short stacking energy: -985.651 Base-Backbone interact. energy: -1.122 local terms energy: -911.547701 where: bonds (distance) C4'-P energy: -132.250 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -212.601 flat angles P-C4'-P energy: -130.725 tors. eta vs tors. theta energy: -292.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -3437.403382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.403382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.403382 (E_RNA) where: Base-Base interactions energy: -2536.358 where: short stacking energy: -957.950 Base-Backbone interact. energy: -1.887 local terms energy: -899.158608 where: bonds (distance) C4'-P energy: -160.014 bonds (distance) P-C4' energy: -148.981 flat angles C4'-P-C4' energy: -192.526 flat angles P-C4'-P energy: -119.517 tors. eta vs tors. theta energy: -278.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -3396.952388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.952388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.952388 (E_RNA) where: Base-Base interactions energy: -2496.767 where: short stacking energy: -962.315 Base-Backbone interact. energy: -1.609 local terms energy: -898.575940 where: bonds (distance) C4'-P energy: -154.798 bonds (distance) P-C4' energy: -156.572 flat angles C4'-P-C4' energy: -185.846 flat angles P-C4'-P energy: -110.615 tors. eta vs tors. theta energy: -290.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -3054.671093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.671093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.671093 (E_RNA) where: Base-Base interactions energy: -2223.672 where: short stacking energy: -865.859 Base-Backbone interact. energy: 4.406 local terms energy: -835.404414 where: bonds (distance) C4'-P energy: -140.821 bonds (distance) P-C4' energy: -153.939 flat angles C4'-P-C4' energy: -179.122 flat angles P-C4'-P energy: -106.315 tors. eta vs tors. theta energy: -255.207 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: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -2848.812372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.812372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.812372 (E_RNA) where: Base-Base interactions energy: -2052.020 where: short stacking energy: -843.190 Base-Backbone interact. energy: -0.369 local terms energy: -796.423480 where: bonds (distance) C4'-P energy: -122.590 bonds (distance) P-C4' energy: -152.003 flat angles C4'-P-C4' energy: -166.867 flat angles P-C4'-P energy: -116.277 tors. eta vs tors. theta energy: -238.687 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: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3886.260785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3886.260785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3886.260785 (E_RNA) where: Base-Base interactions energy: -2811.239 where: short stacking energy: -1077.050 Base-Backbone interact. energy: -5.467 local terms energy: -1069.554257 where: bonds (distance) C4'-P energy: -175.241 bonds (distance) P-C4' energy: -197.213 flat angles C4'-P-C4' energy: -221.316 flat angles P-C4'-P energy: -156.002 tors. eta vs tors. theta energy: -319.782 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: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3831.458114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3831.458114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3831.458114 (E_RNA) where: Base-Base interactions energy: -2762.757 where: short stacking energy: -1065.935 Base-Backbone interact. energy: -3.405 local terms energy: -1065.296313 where: bonds (distance) C4'-P energy: -194.246 bonds (distance) P-C4' energy: -191.398 flat angles C4'-P-C4' energy: -227.960 flat angles P-C4'-P energy: -131.723 tors. eta vs tors. theta energy: -319.968 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: 3, replica: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -3682.491682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3682.491682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3682.491682 (E_RNA) where: Base-Base interactions energy: -2700.696 where: short stacking energy: -1042.801 Base-Backbone interact. energy: 3.090 local terms energy: -984.885581 where: bonds (distance) C4'-P energy: -162.142 bonds (distance) P-C4' energy: -161.368 flat angles C4'-P-C4' energy: -219.713 flat angles P-C4'-P energy: -134.644 tors. eta vs tors. theta energy: -307.019 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: 4 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -3650.913156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.913156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.913156 (E_RNA) where: Base-Base interactions energy: -2652.717 where: short stacking energy: -1044.185 Base-Backbone interact. energy: -0.889 local terms energy: -997.306969 where: bonds (distance) C4'-P energy: -161.665 bonds (distance) P-C4' energy: -167.556 flat angles C4'-P-C4' energy: -206.969 flat angles P-C4'-P energy: -158.087 tors. eta vs tors. theta energy: -303.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -3532.040690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3532.040690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3532.040690 (E_RNA) where: Base-Base interactions energy: -2590.163 where: short stacking energy: -999.367 Base-Backbone interact. energy: -3.157 local terms energy: -938.720514 where: bonds (distance) C4'-P energy: -167.144 bonds (distance) P-C4' energy: -144.601 flat angles C4'-P-C4' energy: -194.075 flat angles P-C4'-P energy: -139.974 tors. eta vs tors. theta energy: -292.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -3417.387008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3417.387008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3417.387008 (E_RNA) where: Base-Base interactions energy: -2478.292 where: short stacking energy: -969.380 Base-Backbone interact. energy: -1.244 local terms energy: -937.851674 where: bonds (distance) C4'-P energy: -148.066 bonds (distance) P-C4' energy: -174.121 flat angles C4'-P-C4' energy: -190.766 flat angles P-C4'-P energy: -142.513 tors. eta vs tors. theta energy: -282.385 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: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -3434.241932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3434.241932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3434.241932 (E_RNA) where: Base-Base interactions energy: -2515.263 where: short stacking energy: -961.401 Base-Backbone interact. energy: -0.011 local terms energy: -918.968157 where: bonds (distance) C4'-P energy: -142.438 bonds (distance) P-C4' energy: -155.634 flat angles C4'-P-C4' energy: -197.808 flat angles P-C4'-P energy: -131.600 tors. eta vs tors. theta energy: -291.487 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: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -3354.561706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.561706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.561706 (E_RNA) where: Base-Base interactions energy: -2472.942 where: short stacking energy: -943.650 Base-Backbone interact. energy: 2.176 local terms energy: -883.795419 where: bonds (distance) C4'-P energy: -130.100 bonds (distance) P-C4' energy: -142.209 flat angles C4'-P-C4' energy: -198.290 flat angles P-C4'-P energy: -123.506 tors. eta vs tors. theta energy: -289.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -3035.893100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.893100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.893100 (E_RNA) where: Base-Base interactions energy: -2176.034 where: short stacking energy: -858.475 Base-Backbone interact. energy: 1.128 local terms energy: -860.986997 where: bonds (distance) C4'-P energy: -160.591 bonds (distance) P-C4' energy: -149.004 flat angles C4'-P-C4' energy: -187.886 flat angles P-C4'-P energy: -113.354 tors. eta vs tors. theta energy: -250.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -2801.886067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.886067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.886067 (E_RNA) where: Base-Base interactions energy: -1992.084 where: short stacking energy: -801.462 Base-Backbone interact. energy: 2.527 local terms energy: -812.328569 where: bonds (distance) C4'-P energy: -158.882 bonds (distance) P-C4' energy: -146.925 flat angles C4'-P-C4' energy: -164.147 flat angles P-C4'-P energy: -109.301 tors. eta vs tors. theta energy: -233.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3893.299705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3893.299705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3893.299705 (E_RNA) where: Base-Base interactions energy: -2848.810 where: short stacking energy: -1106.241 Base-Backbone interact. energy: -2.284 local terms energy: -1042.206061 where: bonds (distance) C4'-P energy: -175.419 bonds (distance) P-C4' energy: -185.308 flat angles C4'-P-C4' energy: -224.263 flat angles P-C4'-P energy: -138.077 tors. eta vs tors. theta energy: -319.139 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: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3776.306784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3776.306784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3776.306784 (E_RNA) where: Base-Base interactions energy: -2716.158 where: short stacking energy: -1055.775 Base-Backbone interact. energy: -1.495 local terms energy: -1058.653640 where: bonds (distance) C4'-P energy: -189.576 bonds (distance) P-C4' energy: -179.353 flat angles C4'-P-C4' energy: -230.935 flat angles P-C4'-P energy: -144.684 tors. eta vs tors. theta energy: -314.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -3662.866551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3662.866551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3662.866551 (E_RNA) where: Base-Base interactions energy: -2659.642 where: short stacking energy: -997.058 Base-Backbone interact. energy: 4.082 local terms energy: -1007.305901 where: bonds (distance) C4'-P energy: -183.034 bonds (distance) P-C4' energy: -174.003 flat angles C4'-P-C4' energy: -217.387 flat angles P-C4'-P energy: -145.720 tors. eta vs tors. theta energy: -287.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -3640.924207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3640.924207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3640.924207 (E_RNA) where: Base-Base interactions energy: -2663.824 where: short stacking energy: -1020.685 Base-Backbone interact. energy: -2.026 local terms energy: -975.074216 where: bonds (distance) C4'-P energy: -166.895 bonds (distance) P-C4' energy: -155.659 flat angles C4'-P-C4' energy: -202.962 flat angles P-C4'-P energy: -153.002 tors. eta vs tors. theta energy: -296.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -3563.790513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3563.790513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3563.790513 (E_RNA) where: Base-Base interactions energy: -2618.847 where: short stacking energy: -1014.266 Base-Backbone interact. energy: -3.652 local terms energy: -941.291468 where: bonds (distance) C4'-P energy: -148.479 bonds (distance) P-C4' energy: -170.815 flat angles C4'-P-C4' energy: -204.560 flat angles P-C4'-P energy: -129.941 tors. eta vs tors. theta energy: -287.496 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: 6, replica: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -3473.766928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.766928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.766928 (E_RNA) where: Base-Base interactions energy: -2538.640 where: short stacking energy: -994.876 Base-Backbone interact. energy: -2.019 local terms energy: -933.107924 where: bonds (distance) C4'-P energy: -163.792 bonds (distance) P-C4' energy: -153.391 flat angles C4'-P-C4' energy: -193.088 flat angles P-C4'-P energy: -126.076 tors. eta vs tors. theta energy: -296.762 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: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -3330.476875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.476875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.476875 (E_RNA) where: Base-Base interactions energy: -2437.772 where: short stacking energy: -964.604 Base-Backbone interact. energy: -0.988 local terms energy: -891.716740 where: bonds (distance) C4'-P energy: -162.070 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -199.954 flat angles P-C4'-P energy: -106.334 tors. eta vs tors. theta energy: -281.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -3356.482218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3356.482218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3356.482218 (E_RNA) where: Base-Base interactions energy: -2465.216 where: short stacking energy: -948.586 Base-Backbone interact. energy: -0.357 local terms energy: -890.909124 where: bonds (distance) C4'-P energy: -138.573 bonds (distance) P-C4' energy: -167.225 flat angles C4'-P-C4' energy: -190.197 flat angles P-C4'-P energy: -114.909 tors. eta vs tors. theta energy: -280.005 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: -3014.574564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.574564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.574564 (E_RNA) where: Base-Base interactions energy: -2171.297 where: short stacking energy: -867.251 Base-Backbone interact. energy: -0.677 local terms energy: -842.600005 where: bonds (distance) C4'-P energy: -123.745 bonds (distance) P-C4' energy: -156.278 flat angles C4'-P-C4' energy: -179.257 flat angles P-C4'-P energy: -124.160 tors. eta vs tors. theta energy: -259.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -2772.638994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.638994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.638994 (E_RNA) where: Base-Base interactions energy: -1999.998 where: short stacking energy: -804.195 Base-Backbone interact. energy: -2.631 local terms energy: -770.009346 where: bonds (distance) C4'-P energy: -142.166 bonds (distance) P-C4' energy: -110.905 flat angles C4'-P-C4' energy: -177.113 flat angles P-C4'-P energy: -116.886 tors. eta vs tors. theta energy: -222.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3904.689870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3904.689870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3904.689870 (E_RNA) where: Base-Base interactions energy: -2833.802 where: short stacking energy: -1089.097 Base-Backbone interact. energy: -1.161 local terms energy: -1069.727144 where: bonds (distance) C4'-P energy: -176.201 bonds (distance) P-C4' energy: -196.302 flat angles C4'-P-C4' energy: -228.973 flat angles P-C4'-P energy: -155.587 tors. eta vs tors. theta energy: -312.664 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: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3804.293875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3804.293875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3804.293875 (E_RNA) where: Base-Base interactions energy: -2752.393 where: short stacking energy: -1056.323 Base-Backbone interact. energy: -1.716 local terms energy: -1050.184695 where: bonds (distance) C4'-P energy: -173.968 bonds (distance) P-C4' energy: -187.587 flat angles C4'-P-C4' energy: -216.047 flat angles P-C4'-P energy: -153.345 tors. eta vs tors. theta energy: -319.238 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: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -3660.342241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3660.342241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3660.342241 (E_RNA) where: Base-Base interactions energy: -2662.181 where: short stacking energy: -1034.777 Base-Backbone interact. energy: 0.227 local terms energy: -998.388351 where: bonds (distance) C4'-P energy: -172.516 bonds (distance) P-C4' energy: -172.933 flat angles C4'-P-C4' energy: -212.396 flat angles P-C4'-P energy: -149.403 tors. eta vs tors. theta energy: -291.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -3610.406604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3610.406604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3610.406604 (E_RNA) where: Base-Base interactions energy: -2615.671 where: short stacking energy: -1006.908 Base-Backbone interact. energy: -2.695 local terms energy: -992.040801 where: bonds (distance) C4'-P energy: -175.225 bonds (distance) P-C4' energy: -174.271 flat angles C4'-P-C4' energy: -209.596 flat angles P-C4'-P energy: -139.307 tors. eta vs tors. theta energy: -293.642 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: 3 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -3559.365246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3559.365246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3559.365246 (E_RNA) where: Base-Base interactions energy: -2621.138 where: short stacking energy: -998.311 Base-Backbone interact. energy: -1.346 local terms energy: -936.880341 where: bonds (distance) C4'-P energy: -156.422 bonds (distance) P-C4' energy: -173.139 flat angles C4'-P-C4' energy: -200.639 flat angles P-C4'-P energy: -119.603 tors. eta vs tors. theta energy: -287.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -3441.797498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3441.797498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3441.797498 (E_RNA) where: Base-Base interactions energy: -2488.206 where: short stacking energy: -981.775 Base-Backbone interact. energy: 1.261 local terms energy: -954.853118 where: bonds (distance) C4'-P energy: -147.283 bonds (distance) P-C4' energy: -152.447 flat angles C4'-P-C4' energy: -211.258 flat angles P-C4'-P energy: -137.595 tors. eta vs tors. theta energy: -306.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -3440.385702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3440.385702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3440.385702 (E_RNA) where: Base-Base interactions energy: -2531.826 where: short stacking energy: -990.347 Base-Backbone interact. energy: -2.316 local terms energy: -906.243697 where: bonds (distance) C4'-P energy: -147.978 bonds (distance) P-C4' energy: -141.557 flat angles C4'-P-C4' energy: -203.770 flat angles P-C4'-P energy: -111.167 tors. eta vs tors. theta energy: -301.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -3237.086630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.086630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.086630 (E_RNA) where: Base-Base interactions energy: -2350.796 where: short stacking energy: -910.735 Base-Backbone interact. energy: 1.793 local terms energy: -888.082843 where: bonds (distance) C4'-P energy: -163.588 bonds (distance) P-C4' energy: -148.944 flat angles C4'-P-C4' energy: -189.739 flat angles P-C4'-P energy: -125.622 tors. eta vs tors. theta energy: -260.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -2971.709248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.709248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.709248 (E_RNA) where: Base-Base interactions energy: -2148.853 where: short stacking energy: -838.872 Base-Backbone interact. energy: 2.669 local terms energy: -825.525590 where: bonds (distance) C4'-P energy: -141.947 bonds (distance) P-C4' energy: -152.175 flat angles C4'-P-C4' energy: -185.969 flat angles P-C4'-P energy: -103.015 tors. eta vs tors. theta energy: -242.420 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: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -2737.073972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.073972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.073972 (E_RNA) where: Base-Base interactions energy: -1961.236 where: short stacking energy: -775.860 Base-Backbone interact. energy: 1.448 local terms energy: -777.285746 where: bonds (distance) C4'-P energy: -124.712 bonds (distance) P-C4' energy: -151.981 flat angles C4'-P-C4' energy: -176.680 flat angles P-C4'-P energy: -119.638 tors. eta vs tors. theta energy: -204.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3919.653334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3919.653334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3919.653334 (E_RNA) where: Base-Base interactions energy: -2870.406 where: short stacking energy: -1103.784 Base-Backbone interact. energy: -1.713 local terms energy: -1047.534131 where: bonds (distance) C4'-P energy: -173.126 bonds (distance) P-C4' energy: -181.628 flat angles C4'-P-C4' energy: -220.295 flat angles P-C4'-P energy: -150.465 tors. eta vs tors. theta energy: -322.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -3795.047880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3795.047880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3795.047880 (E_RNA) where: Base-Base interactions energy: -2743.448 where: short stacking energy: -1070.003 Base-Backbone interact. energy: -1.204 local terms energy: -1050.395925 where: bonds (distance) C4'-P energy: -182.050 bonds (distance) P-C4' energy: -176.446 flat angles C4'-P-C4' energy: -226.785 flat angles P-C4'-P energy: -150.334 tors. eta vs tors. theta energy: -314.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -3706.521527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3706.521527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3706.521527 (E_RNA) where: Base-Base interactions energy: -2703.018 where: short stacking energy: -1010.216 Base-Backbone interact. energy: 6.359 local terms energy: -1009.862025 where: bonds (distance) C4'-P energy: -197.931 bonds (distance) P-C4' energy: -158.712 flat angles C4'-P-C4' energy: -202.008 flat angles P-C4'-P energy: -163.193 tors. eta vs tors. theta energy: -288.018 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: 4 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -3615.793932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3615.793932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3615.793932 (E_RNA) where: Base-Base interactions energy: -2658.672 where: short stacking energy: -1049.779 Base-Backbone interact. energy: -0.076 local terms energy: -957.045263 where: bonds (distance) C4'-P energy: -157.019 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -209.363 flat angles P-C4'-P energy: -132.972 tors. eta vs tors. theta energy: -296.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -3515.395397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.395397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.395397 (E_RNA) where: Base-Base interactions energy: -2569.412 where: short stacking energy: -980.582 Base-Backbone interact. energy: -0.892 local terms energy: -945.091407 where: bonds (distance) C4'-P energy: -166.250 bonds (distance) P-C4' energy: -165.426 flat angles C4'-P-C4' energy: -200.435 flat angles P-C4'-P energy: -138.138 tors. eta vs tors. theta energy: -274.841 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: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -3462.040523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.040523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.040523 (E_RNA) where: Base-Base interactions energy: -2522.554 where: short stacking energy: -980.491 Base-Backbone interact. energy: -2.473 local terms energy: -937.012973 where: bonds (distance) C4'-P energy: -161.523 bonds (distance) P-C4' energy: -158.210 flat angles C4'-P-C4' energy: -185.288 flat angles P-C4'-P energy: -133.381 tors. eta vs tors. theta energy: -298.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -3477.482576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.482576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.482576 (E_RNA) where: Base-Base interactions energy: -2507.293 where: short stacking energy: -963.947 Base-Backbone interact. energy: -1.795 local terms energy: -968.395101 where: bonds (distance) C4'-P energy: -171.033 bonds (distance) P-C4' energy: -166.292 flat angles C4'-P-C4' energy: -183.204 flat angles P-C4'-P energy: -153.746 tors. eta vs tors. theta energy: -294.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -3187.614119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.614119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.614119 (E_RNA) where: Base-Base interactions energy: -2305.084 where: short stacking energy: -875.702 Base-Backbone interact. energy: -0.362 local terms energy: -882.168287 where: bonds (distance) C4'-P energy: -168.229 bonds (distance) P-C4' energy: -133.792 flat angles C4'-P-C4' energy: -184.309 flat angles P-C4'-P energy: -143.822 tors. eta vs tors. theta energy: -252.015 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: 383 Temperature: 1.300000 Total energy: -2888.848147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.848147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.848147 (E_RNA) where: Base-Base interactions energy: -2053.580 where: short stacking energy: -811.154 Base-Backbone interact. energy: -2.779 local terms energy: -832.489103 where: bonds (distance) C4'-P energy: -174.515 bonds (distance) P-C4' energy: -149.970 flat angles C4'-P-C4' energy: -170.260 flat angles P-C4'-P energy: -114.694 tors. eta vs tors. theta energy: -223.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -2767.025814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.025814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.025814 (E_RNA) where: Base-Base interactions energy: -1961.493 where: short stacking energy: -763.407 Base-Backbone interact. energy: 6.453 local terms energy: -811.986311 where: bonds (distance) C4'-P energy: -165.725 bonds (distance) P-C4' energy: -148.395 flat angles C4'-P-C4' energy: -147.515 flat angles P-C4'-P energy: -127.796 tors. eta vs tors. theta energy: -222.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3923.867925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3923.867925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3923.867925 (E_RNA) where: Base-Base interactions energy: -2846.647 where: short stacking energy: -1085.445 Base-Backbone interact. energy: -2.620 local terms energy: -1074.600779 where: bonds (distance) C4'-P energy: -184.978 bonds (distance) P-C4' energy: -186.768 flat angles C4'-P-C4' energy: -229.883 flat angles P-C4'-P energy: -157.264 tors. eta vs tors. theta energy: -315.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3788.011051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3788.011051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3788.011051 (E_RNA) where: Base-Base interactions energy: -2767.630 where: short stacking energy: -1073.319 Base-Backbone interact. energy: 0.945 local terms energy: -1021.326317 where: bonds (distance) C4'-P energy: -165.901 bonds (distance) P-C4' energy: -181.795 flat angles C4'-P-C4' energy: -209.048 flat angles P-C4'-P energy: -147.978 tors. eta vs tors. theta energy: -316.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -3686.936875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3686.936875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3686.936875 (E_RNA) where: Base-Base interactions energy: -2684.720 where: short stacking energy: -1013.645 Base-Backbone interact. energy: 0.121 local terms energy: -1002.337872 where: bonds (distance) C4'-P energy: -174.278 bonds (distance) P-C4' energy: -174.675 flat angles C4'-P-C4' energy: -205.564 flat angles P-C4'-P energy: -152.745 tors. eta vs tors. theta energy: -295.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -3650.900334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.900334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.900334 (E_RNA) where: Base-Base interactions energy: -2654.430 where: short stacking energy: -1036.168 Base-Backbone interact. energy: -2.968 local terms energy: -993.502930 where: bonds (distance) C4'-P energy: -179.311 bonds (distance) P-C4' energy: -175.055 flat angles C4'-P-C4' energy: -202.856 flat angles P-C4'-P energy: -126.912 tors. eta vs tors. theta energy: -309.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -3555.023945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3555.023945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3555.023945 (E_RNA) where: Base-Base interactions energy: -2639.324 where: short stacking energy: -1017.021 Base-Backbone interact. energy: 1.421 local terms energy: -917.121520 where: bonds (distance) C4'-P energy: -132.555 bonds (distance) P-C4' energy: -178.035 flat angles C4'-P-C4' energy: -198.557 flat angles P-C4'-P energy: -113.962 tors. eta vs tors. theta energy: -294.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -3473.964183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.964183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.964183 (E_RNA) where: Base-Base interactions energy: -2528.465 where: short stacking energy: -995.947 Base-Backbone interact. energy: -1.084 local terms energy: -944.414744 where: bonds (distance) C4'-P energy: -159.137 bonds (distance) P-C4' energy: -164.499 flat angles C4'-P-C4' energy: -191.291 flat angles P-C4'-P energy: -132.113 tors. eta vs tors. theta energy: -297.376 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: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -3405.262653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.262653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.262653 (E_RNA) where: Base-Base interactions energy: -2475.883 where: short stacking energy: -953.667 Base-Backbone interact. energy: 1.395 local terms energy: -930.775089 where: bonds (distance) C4'-P energy: -153.739 bonds (distance) P-C4' energy: -149.266 flat angles C4'-P-C4' energy: -204.619 flat angles P-C4'-P energy: -135.814 tors. eta vs tors. theta energy: -287.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -3212.818660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.818660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.818660 (E_RNA) where: Base-Base interactions energy: -2372.324 where: short stacking energy: -913.110 Base-Backbone interact. energy: 4.964 local terms energy: -845.459476 where: bonds (distance) C4'-P energy: -139.402 bonds (distance) P-C4' energy: -150.393 flat angles C4'-P-C4' energy: -181.814 flat angles P-C4'-P energy: -107.259 tors. eta vs tors. theta energy: -266.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -2955.348997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.348997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.348997 (E_RNA) where: Base-Base interactions energy: -2154.607 where: short stacking energy: -852.905 Base-Backbone interact. energy: 4.302 local terms energy: -805.044248 where: bonds (distance) C4'-P energy: -132.403 bonds (distance) P-C4' energy: -145.228 flat angles C4'-P-C4' energy: -183.430 flat angles P-C4'-P energy: -111.106 tors. eta vs tors. theta energy: -232.877 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: 10, replica: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -2648.373403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.373403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.373403 (E_RNA) where: Base-Base interactions energy: -1896.963 where: short stacking energy: -731.071 Base-Backbone interact. energy: 0.206 local terms energy: -751.616276 where: bonds (distance) C4'-P energy: -109.416 bonds (distance) P-C4' energy: -140.372 flat angles C4'-P-C4' energy: -186.660 flat angles P-C4'-P energy: -111.492 tors. eta vs tors. theta energy: -203.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3918.596012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3918.596012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3918.596012 (E_RNA) where: Base-Base interactions energy: -2862.705 where: short stacking energy: -1081.759 Base-Backbone interact. energy: -4.052 local terms energy: -1051.839412 where: bonds (distance) C4'-P energy: -192.150 bonds (distance) P-C4' energy: -167.083 flat angles C4'-P-C4' energy: -227.422 flat angles P-C4'-P energy: -153.037 tors. eta vs tors. theta energy: -312.147 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: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3815.545246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3815.545246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3815.545246 (E_RNA) where: Base-Base interactions energy: -2764.058 where: short stacking energy: -1073.017 Base-Backbone interact. energy: -4.344 local terms energy: -1047.144050 where: bonds (distance) C4'-P energy: -179.990 bonds (distance) P-C4' energy: -173.345 flat angles C4'-P-C4' energy: -223.469 flat angles P-C4'-P energy: -153.750 tors. eta vs tors. theta energy: -316.591 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: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -3687.258447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3687.258447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3687.258447 (E_RNA) where: Base-Base interactions energy: -2698.358 where: short stacking energy: -1023.932 Base-Backbone interact. energy: 8.945 local terms energy: -997.845430 where: bonds (distance) C4'-P energy: -180.464 bonds (distance) P-C4' energy: -178.382 flat angles C4'-P-C4' energy: -211.668 flat angles P-C4'-P energy: -128.869 tors. eta vs tors. theta energy: -298.462 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: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -3613.123692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3613.123692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3613.123692 (E_RNA) where: Base-Base interactions energy: -2642.896 where: short stacking energy: -1026.907 Base-Backbone interact. energy: 4.369 local terms energy: -974.596538 where: bonds (distance) C4'-P energy: -168.043 bonds (distance) P-C4' energy: -156.167 flat angles C4'-P-C4' energy: -213.852 flat angles P-C4'-P energy: -138.335 tors. eta vs tors. theta energy: -298.200 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: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -3550.208987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3550.208987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3550.208987 (E_RNA) where: Base-Base interactions energy: -2598.724 where: short stacking energy: -1001.347 Base-Backbone interact. energy: 0.041 local terms energy: -951.525357 where: bonds (distance) C4'-P energy: -154.180 bonds (distance) P-C4' energy: -149.828 flat angles C4'-P-C4' energy: -206.016 flat angles P-C4'-P energy: -137.771 tors. eta vs tors. theta energy: -303.731 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: 6, replica: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -3484.367708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.367708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.367708 (E_RNA) where: Base-Base interactions energy: -2555.577 where: short stacking energy: -992.383 Base-Backbone interact. energy: -3.392 local terms energy: -925.399455 where: bonds (distance) C4'-P energy: -163.976 bonds (distance) P-C4' energy: -150.810 flat angles C4'-P-C4' energy: -199.833 flat angles P-C4'-P energy: -128.223 tors. eta vs tors. theta energy: -282.558 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: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -3393.281013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3393.281013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3393.281013 (E_RNA) where: Base-Base interactions energy: -2475.381 where: short stacking energy: -937.598 Base-Backbone interact. energy: -2.715 local terms energy: -915.185472 where: bonds (distance) C4'-P energy: -151.321 bonds (distance) P-C4' energy: -160.777 flat angles C4'-P-C4' energy: -194.100 flat angles P-C4'-P energy: -126.882 tors. eta vs tors. theta energy: -282.106 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: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -3207.938664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.938664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.938664 (E_RNA) where: Base-Base interactions energy: -2334.445 where: short stacking energy: -891.724 Base-Backbone interact. energy: -2.371 local terms energy: -871.123220 where: bonds (distance) C4'-P energy: -147.980 bonds (distance) P-C4' energy: -152.880 flat angles C4'-P-C4' energy: -190.127 flat angles P-C4'-P energy: -110.587 tors. eta vs tors. theta energy: -269.549 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: 385 Temperature: 1.300000 Total energy: -2952.373128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.373128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.373128 (E_RNA) where: Base-Base interactions energy: -2138.674 where: short stacking energy: -834.406 Base-Backbone interact. energy: 0.264 local terms energy: -813.964005 where: bonds (distance) C4'-P energy: -164.788 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -165.958 flat angles P-C4'-P energy: -118.463 tors. eta vs tors. theta energy: -245.579 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: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -2637.283300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.283300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.283300 (E_RNA) where: Base-Base interactions energy: -1878.540 where: short stacking energy: -733.515 Base-Backbone interact. energy: 1.857 local terms energy: -760.600533 where: bonds (distance) C4'-P energy: -115.153 bonds (distance) P-C4' energy: -160.961 flat angles C4'-P-C4' energy: -171.368 flat angles P-C4'-P energy: -103.938 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: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3920.064508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3920.064508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3920.064508 (E_RNA) where: Base-Base interactions energy: -2846.421 where: short stacking energy: -1090.553 Base-Backbone interact. energy: -4.908 local terms energy: -1068.735211 where: bonds (distance) C4'-P energy: -187.852 bonds (distance) P-C4' energy: -182.835 flat angles C4'-P-C4' energy: -223.607 flat angles P-C4'-P energy: -158.012 tors. eta vs tors. theta energy: -316.429 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: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3814.513160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3814.513160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3814.513160 (E_RNA) where: Base-Base interactions energy: -2762.823 where: short stacking energy: -1071.565 Base-Backbone interact. energy: -1.870 local terms energy: -1049.820271 where: bonds (distance) C4'-P energy: -192.908 bonds (distance) P-C4' energy: -181.683 flat angles C4'-P-C4' energy: -219.463 flat angles P-C4'-P energy: -145.188 tors. eta vs tors. theta energy: -310.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -3675.305072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3675.305072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3675.305072 (E_RNA) where: Base-Base interactions energy: -2695.015 where: short stacking energy: -1035.629 Base-Backbone interact. energy: 3.820 local terms energy: -984.110238 where: bonds (distance) C4'-P energy: -175.029 bonds (distance) P-C4' energy: -150.481 flat angles C4'-P-C4' energy: -213.705 flat angles P-C4'-P energy: -148.674 tors. eta vs tors. theta energy: -296.222 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: 4 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -3599.898158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3599.898158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3599.898158 (E_RNA) where: Base-Base interactions energy: -2617.593 where: short stacking energy: -1007.046 Base-Backbone interact. energy: -0.931 local terms energy: -981.374133 where: bonds (distance) C4'-P energy: -174.196 bonds (distance) P-C4' energy: -161.335 flat angles C4'-P-C4' energy: -202.320 flat angles P-C4'-P energy: -133.920 tors. eta vs tors. theta energy: -309.603 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: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -3555.333914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3555.333914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3555.333914 (E_RNA) where: Base-Base interactions energy: -2587.164 where: short stacking energy: -986.559 Base-Backbone interact. energy: -1.409 local terms energy: -966.760436 where: bonds (distance) C4'-P energy: -161.635 bonds (distance) P-C4' energy: -159.189 flat angles C4'-P-C4' energy: -216.807 flat angles P-C4'-P energy: -137.865 tors. eta vs tors. theta energy: -291.266 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: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -3471.779778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3471.779778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3471.779778 (E_RNA) where: Base-Base interactions energy: -2560.977 where: short stacking energy: -989.778 Base-Backbone interact. energy: -1.517 local terms energy: -909.284959 where: bonds (distance) C4'-P energy: -167.015 bonds (distance) P-C4' energy: -155.299 flat angles C4'-P-C4' energy: -185.538 flat angles P-C4'-P energy: -118.289 tors. eta vs tors. theta energy: -283.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -3382.120924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3382.120924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3382.120924 (E_RNA) where: Base-Base interactions energy: -2501.170 where: short stacking energy: -945.981 Base-Backbone interact. energy: 0.256 local terms energy: -881.207807 where: bonds (distance) C4'-P energy: -140.121 bonds (distance) P-C4' energy: -150.211 flat angles C4'-P-C4' energy: -187.929 flat angles P-C4'-P energy: -122.554 tors. eta vs tors. theta energy: -280.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -3153.201058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.201058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.201058 (E_RNA) where: Base-Base interactions energy: -2317.450 where: short stacking energy: -896.534 Base-Backbone interact. energy: -0.155 local terms energy: -835.596838 where: bonds (distance) C4'-P energy: -148.339 bonds (distance) P-C4' energy: -140.977 flat angles C4'-P-C4' energy: -183.442 flat angles P-C4'-P energy: -114.255 tors. eta vs tors. theta energy: -248.584 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: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -2939.617984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.617984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.617984 (E_RNA) where: Base-Base interactions energy: -2117.773 where: short stacking energy: -823.270 Base-Backbone interact. energy: -1.505 local terms energy: -820.339925 where: bonds (distance) C4'-P energy: -130.421 bonds (distance) P-C4' energy: -158.076 flat angles C4'-P-C4' energy: -168.534 flat angles P-C4'-P energy: -111.211 tors. eta vs tors. theta energy: -252.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -2656.078762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.078762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.078762 (E_RNA) where: Base-Base interactions energy: -1882.268 where: short stacking energy: -731.138 Base-Backbone interact. energy: 1.445 local terms energy: -775.256487 where: bonds (distance) C4'-P energy: -146.107 bonds (distance) P-C4' energy: -143.175 flat angles C4'-P-C4' energy: -166.363 flat angles P-C4'-P energy: -116.487 tors. eta vs tors. theta energy: -203.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3905.431095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3905.431095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3905.431095 (E_RNA) where: Base-Base interactions energy: -2862.755 where: short stacking energy: -1095.385 Base-Backbone interact. energy: -3.637 local terms energy: -1039.038817 where: bonds (distance) C4'-P energy: -180.040 bonds (distance) P-C4' energy: -182.182 flat angles C4'-P-C4' energy: -219.459 flat angles P-C4'-P energy: -145.676 tors. eta vs tors. theta energy: -311.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3831.846950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3831.846950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3831.846950 (E_RNA) where: Base-Base interactions energy: -2769.793 where: short stacking energy: -1081.793 Base-Backbone interact. energy: -3.168 local terms energy: -1058.885342 where: bonds (distance) C4'-P energy: -185.024 bonds (distance) P-C4' energy: -187.656 flat angles C4'-P-C4' energy: -219.167 flat angles P-C4'-P energy: -152.399 tors. eta vs tors. theta energy: -314.640 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: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -3664.291512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3664.291512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3664.291512 (E_RNA) where: Base-Base interactions energy: -2666.314 where: short stacking energy: -1021.685 Base-Backbone interact. energy: 4.658 local terms energy: -1002.635654 where: bonds (distance) C4'-P energy: -181.729 bonds (distance) P-C4' energy: -173.482 flat angles C4'-P-C4' energy: -208.839 flat angles P-C4'-P energy: -143.107 tors. eta vs tors. theta energy: -295.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -3609.570732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3609.570732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3609.570732 (E_RNA) where: Base-Base interactions energy: -2632.552 where: short stacking energy: -1024.069 Base-Backbone interact. energy: -0.365 local terms energy: -976.654129 where: bonds (distance) C4'-P energy: -164.522 bonds (distance) P-C4' energy: -177.333 flat angles C4'-P-C4' energy: -188.184 flat angles P-C4'-P energy: -147.093 tors. eta vs tors. theta energy: -299.522 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: 9 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -3563.268608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3563.268608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3563.268608 (E_RNA) where: Base-Base interactions energy: -2594.657 where: short stacking energy: -1002.498 Base-Backbone interact. energy: -1.890 local terms energy: -966.721578 where: bonds (distance) C4'-P energy: -155.466 bonds (distance) P-C4' energy: -162.135 flat angles C4'-P-C4' energy: -209.287 flat angles P-C4'-P energy: -145.682 tors. eta vs tors. theta energy: -294.152 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: 387 Temperature: 1.150000 Total energy: -3490.662548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3490.662548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3490.662548 (E_RNA) where: Base-Base interactions energy: -2559.527 where: short stacking energy: -991.806 Base-Backbone interact. energy: 3.388 local terms energy: -934.522880 where: bonds (distance) C4'-P energy: -164.971 bonds (distance) P-C4' energy: -162.230 flat angles C4'-P-C4' energy: -191.287 flat angles P-C4'-P energy: -116.015 tors. eta vs tors. theta energy: -300.020 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: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -3372.802822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3372.802822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3372.802822 (E_RNA) where: Base-Base interactions energy: -2458.297 where: short stacking energy: -949.786 Base-Backbone interact. energy: 5.723 local terms energy: -920.229119 where: bonds (distance) C4'-P energy: -135.314 bonds (distance) P-C4' energy: -171.216 flat angles C4'-P-C4' energy: -196.801 flat angles P-C4'-P energy: -136.898 tors. eta vs tors. theta energy: -280.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -3183.361851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.361851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.361851 (E_RNA) where: Base-Base interactions energy: -2293.644 where: short stacking energy: -878.186 Base-Backbone interact. energy: -2.443 local terms energy: -887.274796 where: bonds (distance) C4'-P energy: -174.085 bonds (distance) P-C4' energy: -148.775 flat angles C4'-P-C4' energy: -184.239 flat angles P-C4'-P energy: -130.267 tors. eta vs tors. theta energy: -249.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -2924.085679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.085679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.085679 (E_RNA) where: Base-Base interactions energy: -2116.190 where: short stacking energy: -811.733 Base-Backbone interact. energy: -0.862 local terms energy: -807.034003 where: bonds (distance) C4'-P energy: -130.887 bonds (distance) P-C4' energy: -133.482 flat angles C4'-P-C4' energy: -183.138 flat angles P-C4'-P energy: -124.626 tors. eta vs tors. theta energy: -234.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -2608.884790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.884790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.884790 (E_RNA) where: Base-Base interactions energy: -1875.652 where: short stacking energy: -746.446 Base-Backbone interact. energy: 2.252 local terms energy: -735.484635 where: bonds (distance) C4'-P energy: -144.582 bonds (distance) P-C4' energy: -136.104 flat angles C4'-P-C4' energy: -174.233 flat angles P-C4'-P energy: -86.843 tors. eta vs tors. theta energy: -193.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3908.078549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3908.078549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3908.078549 (E_RNA) where: Base-Base interactions energy: -2883.827 where: short stacking energy: -1087.414 Base-Backbone interact. energy: -1.861 local terms energy: -1022.390910 where: bonds (distance) C4'-P energy: -180.260 bonds (distance) P-C4' energy: -170.098 flat angles C4'-P-C4' energy: -217.529 flat angles P-C4'-P energy: -146.010 tors. eta vs tors. theta energy: -308.494 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: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3784.981976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3784.981976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3784.981976 (E_RNA) where: Base-Base interactions energy: -2780.810 where: short stacking energy: -1052.069 Base-Backbone interact. energy: -0.712 local terms energy: -1003.460190 where: bonds (distance) C4'-P energy: -170.350 bonds (distance) P-C4' energy: -164.312 flat angles C4'-P-C4' energy: -229.020 flat angles P-C4'-P energy: -142.939 tors. eta vs tors. theta energy: -296.840 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: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -3674.577194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3674.577194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3674.577194 (E_RNA) where: Base-Base interactions energy: -2694.087 where: short stacking energy: -1038.588 Base-Backbone interact. energy: 1.629 local terms energy: -982.118561 where: bonds (distance) C4'-P energy: -163.853 bonds (distance) P-C4' energy: -178.732 flat angles C4'-P-C4' energy: -203.973 flat angles P-C4'-P energy: -140.299 tors. eta vs tors. theta energy: -295.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -3609.805193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3609.805193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3609.805193 (E_RNA) where: Base-Base interactions energy: -2639.083 where: short stacking energy: -1028.213 Base-Backbone interact. energy: -0.598 local terms energy: -970.123393 where: bonds (distance) C4'-P energy: -143.907 bonds (distance) P-C4' energy: -178.275 flat angles C4'-P-C4' energy: -217.900 flat angles P-C4'-P energy: -139.140 tors. eta vs tors. theta energy: -290.902 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: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -3555.270645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3555.270645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3555.270645 (E_RNA) where: Base-Base interactions energy: -2616.371 where: short stacking energy: -1006.190 Base-Backbone interact. energy: 1.485 local terms energy: -940.384169 where: bonds (distance) C4'-P energy: -143.523 bonds (distance) P-C4' energy: -152.751 flat angles C4'-P-C4' energy: -213.558 flat angles P-C4'-P energy: -142.732 tors. eta vs tors. theta energy: -287.820 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: 9 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -3500.707861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3500.707861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3500.707861 (E_RNA) where: Base-Base interactions energy: -2554.856 where: short stacking energy: -982.311 Base-Backbone interact. energy: -0.558 local terms energy: -945.294669 where: bonds (distance) C4'-P energy: -162.716 bonds (distance) P-C4' energy: -140.339 flat angles C4'-P-C4' energy: -211.024 flat angles P-C4'-P energy: -131.856 tors. eta vs tors. theta energy: -299.359 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: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -3405.162905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.162905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.162905 (E_RNA) where: Base-Base interactions energy: -2463.864 where: short stacking energy: -929.821 Base-Backbone interact. energy: -1.891 local terms energy: -939.407314 where: bonds (distance) C4'-P energy: -170.856 bonds (distance) P-C4' energy: -162.620 flat angles C4'-P-C4' energy: -190.272 flat angles P-C4'-P energy: -133.584 tors. eta vs tors. theta energy: -282.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -3173.353796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.353796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.353796 (E_RNA) where: Base-Base interactions energy: -2302.196 where: short stacking energy: -874.009 Base-Backbone interact. energy: -1.222 local terms energy: -869.935930 where: bonds (distance) C4'-P energy: -158.783 bonds (distance) P-C4' energy: -142.522 flat angles C4'-P-C4' energy: -200.257 flat angles P-C4'-P energy: -111.234 tors. eta vs tors. theta energy: -257.141 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: 388 Temperature: 1.300000 Total energy: -2938.693585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.693585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.693585 (E_RNA) where: Base-Base interactions energy: -2118.872 where: short stacking energy: -836.543 Base-Backbone interact. energy: 0.449 local terms energy: -820.270733 where: bonds (distance) C4'-P energy: -128.097 bonds (distance) P-C4' energy: -136.508 flat angles C4'-P-C4' energy: -202.012 flat angles P-C4'-P energy: -109.250 tors. eta vs tors. theta energy: -244.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -2545.181584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.181584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.181584 (E_RNA) where: Base-Base interactions energy: -1794.619 where: short stacking energy: -704.846 Base-Backbone interact. energy: -1.449 local terms energy: -749.113792 where: bonds (distance) C4'-P energy: -141.485 bonds (distance) P-C4' energy: -140.258 flat angles C4'-P-C4' energy: -178.192 flat angles P-C4'-P energy: -109.220 tors. eta vs tors. theta energy: -179.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3922.032896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3922.032896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3922.032896 (E_RNA) where: Base-Base interactions energy: -2848.877 where: short stacking energy: -1091.812 Base-Backbone interact. energy: -0.715 local terms energy: -1072.441245 where: bonds (distance) C4'-P energy: -197.747 bonds (distance) P-C4' energy: -174.664 flat angles C4'-P-C4' energy: -226.136 flat angles P-C4'-P energy: -159.726 tors. eta vs tors. theta energy: -314.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3779.818309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3779.818309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3779.818309 (E_RNA) where: Base-Base interactions energy: -2763.067 where: short stacking energy: -1077.238 Base-Backbone interact. energy: 0.290 local terms energy: -1017.041061 where: bonds (distance) C4'-P energy: -158.271 bonds (distance) P-C4' energy: -177.520 flat angles C4'-P-C4' energy: -224.506 flat angles P-C4'-P energy: -148.344 tors. eta vs tors. theta energy: -308.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -3699.279283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3699.279283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3699.279283 (E_RNA) where: Base-Base interactions energy: -2699.349 where: short stacking energy: -1024.495 Base-Backbone interact. energy: 2.738 local terms energy: -1002.668466 where: bonds (distance) C4'-P energy: -171.054 bonds (distance) P-C4' energy: -178.208 flat angles C4'-P-C4' energy: -203.732 flat angles P-C4'-P energy: -146.465 tors. eta vs tors. theta energy: -303.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -3631.694070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3631.694070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3631.694070 (E_RNA) where: Base-Base interactions energy: -2665.782 where: short stacking energy: -1033.479 Base-Backbone interact. energy: 3.011 local terms energy: -968.922706 where: bonds (distance) C4'-P energy: -152.699 bonds (distance) P-C4' energy: -156.257 flat angles C4'-P-C4' energy: -208.375 flat angles P-C4'-P energy: -149.075 tors. eta vs tors. theta energy: -302.518 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: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -3562.999796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3562.999796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3562.999796 (E_RNA) where: Base-Base interactions energy: -2598.574 where: short stacking energy: -1029.847 Base-Backbone interact. energy: 0.699 local terms energy: -965.125329 where: bonds (distance) C4'-P energy: -167.446 bonds (distance) P-C4' energy: -176.062 flat angles C4'-P-C4' energy: -202.410 flat angles P-C4'-P energy: -108.438 tors. eta vs tors. theta energy: -310.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -3479.626654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.626654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.626654 (E_RNA) where: Base-Base interactions energy: -2564.342 where: short stacking energy: -981.338 Base-Backbone interact. energy: -3.957 local terms energy: -911.327885 where: bonds (distance) C4'-P energy: -144.026 bonds (distance) P-C4' energy: -146.215 flat angles C4'-P-C4' energy: -204.838 flat angles P-C4'-P energy: -137.123 tors. eta vs tors. theta energy: -279.126 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: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -3374.807370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3374.807370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3374.807370 (E_RNA) where: Base-Base interactions energy: -2446.074 where: short stacking energy: -920.688 Base-Backbone interact. energy: -1.833 local terms energy: -926.900329 where: bonds (distance) C4'-P energy: -143.453 bonds (distance) P-C4' energy: -176.993 flat angles C4'-P-C4' energy: -186.394 flat angles P-C4'-P energy: -143.180 tors. eta vs tors. theta energy: -276.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -3202.611731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.611731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.611731 (E_RNA) where: Base-Base interactions energy: -2304.406 where: short stacking energy: -898.916 Base-Backbone interact. energy: 1.238 local terms energy: -899.444312 where: bonds (distance) C4'-P energy: -157.742 bonds (distance) P-C4' energy: -150.195 flat angles C4'-P-C4' energy: -192.404 flat angles P-C4'-P energy: -125.529 tors. eta vs tors. theta energy: -273.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -2959.994959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.994959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.994959 (E_RNA) where: Base-Base interactions energy: -2143.855 where: short stacking energy: -835.848 Base-Backbone interact. energy: -2.159 local terms energy: -813.980722 where: bonds (distance) C4'-P energy: -160.753 bonds (distance) P-C4' energy: -134.983 flat angles C4'-P-C4' energy: -179.023 flat angles P-C4'-P energy: -106.637 tors. eta vs tors. theta energy: -232.584 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: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -2614.154292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.154292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.154292 (E_RNA) where: Base-Base interactions energy: -1861.384 where: short stacking energy: -772.125 Base-Backbone interact. energy: -2.825 local terms energy: -749.945934 where: bonds (distance) C4'-P energy: -158.823 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -164.369 flat angles P-C4'-P energy: -86.828 tors. eta vs tors. theta energy: -188.975 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: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3927.549322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3927.549322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3927.549322 (E_RNA) where: Base-Base interactions energy: -2872.462 where: short stacking energy: -1100.324 Base-Backbone interact. energy: -3.753 local terms energy: -1051.334680 where: bonds (distance) C4'-P energy: -183.573 bonds (distance) P-C4' energy: -186.881 flat angles C4'-P-C4' energy: -202.189 flat angles P-C4'-P energy: -156.541 tors. eta vs tors. theta energy: -322.151 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: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -3806.034546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3806.034546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3806.034546 (E_RNA) where: Base-Base interactions energy: -2756.589 where: short stacking energy: -1069.744 Base-Backbone interact. energy: -2.916 local terms energy: -1046.530172 where: bonds (distance) C4'-P energy: -178.410 bonds (distance) P-C4' energy: -184.456 flat angles C4'-P-C4' energy: -226.169 flat angles P-C4'-P energy: -139.677 tors. eta vs tors. theta energy: -317.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -3689.123946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3689.123946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3689.123946 (E_RNA) where: Base-Base interactions energy: -2655.981 where: short stacking energy: -1016.653 Base-Backbone interact. energy: 0.121 local terms energy: -1033.264589 where: bonds (distance) C4'-P energy: -186.590 bonds (distance) P-C4' energy: -195.191 flat angles C4'-P-C4' energy: -208.152 flat angles P-C4'-P energy: -138.830 tors. eta vs tors. theta energy: -304.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -3630.196238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3630.196238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3630.196238 (E_RNA) where: Base-Base interactions energy: -2673.913 where: short stacking energy: -1050.554 Base-Backbone interact. energy: 3.426 local terms energy: -959.709124 where: bonds (distance) C4'-P energy: -149.928 bonds (distance) P-C4' energy: -171.361 flat angles C4'-P-C4' energy: -207.669 flat angles P-C4'-P energy: -139.769 tors. eta vs tors. theta energy: -290.984 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: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -3570.757950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.757950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.757950 (E_RNA) where: Base-Base interactions energy: -2620.954 where: short stacking energy: -1017.121 Base-Backbone interact. energy: -0.649 local terms energy: -949.155469 where: bonds (distance) C4'-P energy: -168.563 bonds (distance) P-C4' energy: -148.866 flat angles C4'-P-C4' energy: -207.286 flat angles P-C4'-P energy: -128.307 tors. eta vs tors. theta energy: -296.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -3519.715723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3519.715723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3519.715723 (E_RNA) where: Base-Base interactions energy: -2549.235 where: short stacking energy: -999.203 Base-Backbone interact. energy: 2.409 local terms energy: -972.889219 where: bonds (distance) C4'-P energy: -167.204 bonds (distance) P-C4' energy: -176.855 flat angles C4'-P-C4' energy: -206.403 flat angles P-C4'-P energy: -126.215 tors. eta vs tors. theta energy: -296.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -3383.557440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3383.557440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3383.557440 (E_RNA) where: Base-Base interactions energy: -2484.554 where: short stacking energy: -973.783 Base-Backbone interact. energy: -0.742 local terms energy: -898.261578 where: bonds (distance) C4'-P energy: -147.714 bonds (distance) P-C4' energy: -154.111 flat angles C4'-P-C4' energy: -189.737 flat angles P-C4'-P energy: -123.366 tors. eta vs tors. theta energy: -283.333 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: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -3259.408450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.408450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.408450 (E_RNA) where: Base-Base interactions energy: -2350.679 where: short stacking energy: -890.111 Base-Backbone interact. energy: -2.291 local terms energy: -906.438420 where: bonds (distance) C4'-P energy: -156.168 bonds (distance) P-C4' energy: -160.526 flat angles C4'-P-C4' energy: -193.020 flat angles P-C4'-P energy: -117.756 tors. eta vs tors. theta energy: -278.969 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: 390 Temperature: 1.300000 Total energy: -2928.884288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.884288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.884288 (E_RNA) where: Base-Base interactions energy: -2095.682 where: short stacking energy: -816.460 Base-Backbone interact. energy: -3.488 local terms energy: -829.713884 where: bonds (distance) C4'-P energy: -155.001 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -164.581 flat angles P-C4'-P energy: -130.819 tors. eta vs tors. theta energy: -234.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -2634.444012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.444012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.444012 (E_RNA) where: Base-Base interactions energy: -1882.293 where: short stacking energy: -703.414 Base-Backbone interact. energy: -3.549 local terms energy: -748.601500 where: bonds (distance) C4'-P energy: -147.104 bonds (distance) P-C4' energy: -161.246 flat angles C4'-P-C4' energy: -155.424 flat angles P-C4'-P energy: -92.069 tors. eta vs tors. theta energy: -192.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3924.582496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3924.582496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3924.582496 (E_RNA) where: Base-Base interactions energy: -2863.354 where: short stacking energy: -1108.760 Base-Backbone interact. energy: 1.908 local terms energy: -1063.136749 where: bonds (distance) C4'-P energy: -174.067 bonds (distance) P-C4' energy: -186.335 flat angles C4'-P-C4' energy: -231.118 flat angles P-C4'-P energy: -154.774 tors. eta vs tors. theta energy: -316.843 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: 391 Temperature: 0.950000 Total energy: -3812.476749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3812.476749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3812.476749 (E_RNA) where: Base-Base interactions energy: -2753.650 where: short stacking energy: -1050.954 Base-Backbone interact. energy: -3.085 local terms energy: -1055.741659 where: bonds (distance) C4'-P energy: -180.544 bonds (distance) P-C4' energy: -197.715 flat angles C4'-P-C4' energy: -211.703 flat angles P-C4'-P energy: -161.652 tors. eta vs tors. theta energy: -304.127 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: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -3674.540868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3674.540868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3674.540868 (E_RNA) where: Base-Base interactions energy: -2665.748 where: short stacking energy: -1047.911 Base-Backbone interact. energy: 3.882 local terms energy: -1012.675073 where: bonds (distance) C4'-P energy: -169.239 bonds (distance) P-C4' energy: -192.735 flat angles C4'-P-C4' energy: -218.786 flat angles P-C4'-P energy: -132.840 tors. eta vs tors. theta energy: -299.075 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: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -3703.172217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3703.172217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3703.172217 (E_RNA) where: Base-Base interactions energy: -2691.633 where: short stacking energy: -1020.632 Base-Backbone interact. energy: 1.026 local terms energy: -1012.565912 where: bonds (distance) C4'-P energy: -176.535 bonds (distance) P-C4' energy: -172.061 flat angles C4'-P-C4' energy: -220.440 flat angles P-C4'-P energy: -143.205 tors. eta vs tors. theta energy: -300.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -3568.077081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.077081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.077081 (E_RNA) where: Base-Base interactions energy: -2612.585 where: short stacking energy: -1033.238 Base-Backbone interact. energy: -2.688 local terms energy: -952.804476 where: bonds (distance) C4'-P energy: -151.280 bonds (distance) P-C4' energy: -157.240 flat angles C4'-P-C4' energy: -190.814 flat angles P-C4'-P energy: -146.057 tors. eta vs tors. theta energy: -307.414 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: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -3415.077061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3415.077061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3415.077061 (E_RNA) where: Base-Base interactions energy: -2476.292 where: short stacking energy: -968.561 Base-Backbone interact. energy: -3.052 local terms energy: -935.732694 where: bonds (distance) C4'-P energy: -169.815 bonds (distance) P-C4' energy: -156.004 flat angles C4'-P-C4' energy: -194.983 flat angles P-C4'-P energy: -134.461 tors. eta vs tors. theta energy: -280.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -3410.053884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3410.053884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3410.053884 (E_RNA) where: Base-Base interactions energy: -2498.022 where: short stacking energy: -953.888 Base-Backbone interact. energy: -1.529 local terms energy: -910.502511 where: bonds (distance) C4'-P energy: -158.092 bonds (distance) P-C4' energy: -130.566 flat angles C4'-P-C4' energy: -198.202 flat angles P-C4'-P energy: -130.402 tors. eta vs tors. theta energy: -293.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -3250.584925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.584925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.584925 (E_RNA) where: Base-Base interactions energy: -2396.577 where: short stacking energy: -934.701 Base-Backbone interact. energy: 1.887 local terms energy: -855.894247 where: bonds (distance) C4'-P energy: -127.883 bonds (distance) P-C4' energy: -145.513 flat angles C4'-P-C4' energy: -189.176 flat angles P-C4'-P energy: -109.570 tors. eta vs tors. theta energy: -283.753 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: 391 Temperature: 1.300000 Total energy: -2898.766178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.766178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.766178 (E_RNA) where: Base-Base interactions energy: -2092.442 where: short stacking energy: -821.208 Base-Backbone interact. energy: 2.331 local terms energy: -808.654924 where: bonds (distance) C4'-P energy: -143.454 bonds (distance) P-C4' energy: -151.564 flat angles C4'-P-C4' energy: -178.361 flat angles P-C4'-P energy: -105.591 tors. eta vs tors. theta energy: -229.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -2656.501632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.501632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.501632 (E_RNA) where: Base-Base interactions energy: -1939.324 where: short stacking energy: -752.245 Base-Backbone interact. energy: 0.049 local terms energy: -717.226732 where: bonds (distance) C4'-P energy: -128.682 bonds (distance) P-C4' energy: -142.475 flat angles C4'-P-C4' energy: -155.262 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: -212.704 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: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3917.993599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3917.993599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3917.993599 (E_RNA) where: Base-Base interactions energy: -2856.459 where: short stacking energy: -1097.261 Base-Backbone interact. energy: -3.545 local terms energy: -1057.989026 where: bonds (distance) C4'-P energy: -180.265 bonds (distance) P-C4' energy: -180.462 flat angles C4'-P-C4' energy: -217.477 flat angles P-C4'-P energy: -165.084 tors. eta vs tors. theta energy: -314.701 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: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -3817.321664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.321664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.321664 (E_RNA) where: Base-Base interactions energy: -2786.826 where: short stacking energy: -1113.829 Base-Backbone interact. energy: -1.451 local terms energy: -1029.045218 where: bonds (distance) C4'-P energy: -178.135 bonds (distance) P-C4' energy: -185.110 flat angles C4'-P-C4' energy: -215.198 flat angles P-C4'-P energy: -137.896 tors. eta vs tors. theta energy: -312.707 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: 3, replica: 3 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -3733.945792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3733.945792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3733.945792 (E_RNA) where: Base-Base interactions energy: -2726.657 where: short stacking energy: -1032.262 Base-Backbone interact. energy: -1.016 local terms energy: -1006.273169 where: bonds (distance) C4'-P energy: -173.027 bonds (distance) P-C4' energy: -197.469 flat angles C4'-P-C4' energy: -199.158 flat angles P-C4'-P energy: -132.902 tors. eta vs tors. theta energy: -303.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -3621.825760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3621.825760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3621.825760 (E_RNA) where: Base-Base interactions energy: -2646.230 where: short stacking energy: -1028.819 Base-Backbone interact. energy: 4.203 local terms energy: -979.798450 where: bonds (distance) C4'-P energy: -171.741 bonds (distance) P-C4' energy: -157.992 flat angles C4'-P-C4' energy: -210.173 flat angles P-C4'-P energy: -144.506 tors. eta vs tors. theta energy: -295.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -3549.418006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3549.418006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3549.418006 (E_RNA) where: Base-Base interactions energy: -2607.426 where: short stacking energy: -1001.894 Base-Backbone interact. energy: -3.302 local terms energy: -938.690237 where: bonds (distance) C4'-P energy: -147.913 bonds (distance) P-C4' energy: -171.383 flat angles C4'-P-C4' energy: -197.964 flat angles P-C4'-P energy: -135.582 tors. eta vs tors. theta energy: -285.849 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: 392 Temperature: 1.150000 Total energy: -3430.121235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.121235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.121235 (E_RNA) where: Base-Base interactions energy: -2491.674 where: short stacking energy: -942.369 Base-Backbone interact. energy: -0.158 local terms energy: -938.289465 where: bonds (distance) C4'-P energy: -175.551 bonds (distance) P-C4' energy: -165.416 flat angles C4'-P-C4' energy: -193.320 flat angles P-C4'-P energy: -135.472 tors. eta vs tors. theta energy: -268.529 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: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -3407.431589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3407.431589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3407.431589 (E_RNA) where: Base-Base interactions energy: -2522.216 where: short stacking energy: -967.115 Base-Backbone interact. energy: -0.204 local terms energy: -885.011993 where: bonds (distance) C4'-P energy: -141.079 bonds (distance) P-C4' energy: -154.046 flat angles C4'-P-C4' energy: -186.694 flat angles P-C4'-P energy: -117.207 tors. eta vs tors. theta energy: -285.986 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: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -3234.666371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.666371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.666371 (E_RNA) where: Base-Base interactions energy: -2364.003 where: short stacking energy: -907.529 Base-Backbone interact. energy: -0.465 local terms energy: -870.198193 where: bonds (distance) C4'-P energy: -156.426 bonds (distance) P-C4' energy: -150.128 flat angles C4'-P-C4' energy: -189.184 flat angles P-C4'-P energy: -120.307 tors. eta vs tors. theta energy: -254.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -3031.634078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.634078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.634078 (E_RNA) where: Base-Base interactions energy: -2185.663 where: short stacking energy: -855.454 Base-Backbone interact. energy: 0.903 local terms energy: -846.873335 where: bonds (distance) C4'-P energy: -122.985 bonds (distance) P-C4' energy: -154.154 flat angles C4'-P-C4' energy: -184.972 flat angles P-C4'-P energy: -127.958 tors. eta vs tors. theta energy: -256.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -2711.228839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.228839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.228839 (E_RNA) where: Base-Base interactions energy: -1949.162 where: short stacking energy: -772.512 Base-Backbone interact. energy: 0.946 local terms energy: -763.012426 where: bonds (distance) C4'-P energy: -137.596 bonds (distance) P-C4' energy: -133.614 flat angles C4'-P-C4' energy: -175.866 flat angles P-C4'-P energy: -105.115 tors. eta vs tors. theta energy: -210.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3961.770813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3961.770813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3961.770813 (E_RNA) where: Base-Base interactions energy: -2883.269 where: short stacking energy: -1101.315 Base-Backbone interact. energy: -5.428 local terms energy: -1073.073613 where: bonds (distance) C4'-P energy: -175.780 bonds (distance) P-C4' energy: -191.063 flat angles C4'-P-C4' energy: -228.136 flat angles P-C4'-P energy: -149.310 tors. eta vs tors. theta energy: -328.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -3785.743615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3785.743615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3785.743615 (E_RNA) where: Base-Base interactions energy: -2753.272 where: short stacking energy: -1063.066 Base-Backbone interact. energy: -1.114 local terms energy: -1031.357424 where: bonds (distance) C4'-P energy: -167.681 bonds (distance) P-C4' energy: -191.406 flat angles C4'-P-C4' energy: -213.158 flat angles P-C4'-P energy: -148.478 tors. eta vs tors. theta energy: -310.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -3754.783691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3754.783691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3754.783691 (E_RNA) where: Base-Base interactions energy: -2790.630 where: short stacking energy: -1068.372 Base-Backbone interact. energy: -2.477 local terms energy: -961.677092 where: bonds (distance) C4'-P energy: -146.930 bonds (distance) P-C4' energy: -160.171 flat angles C4'-P-C4' energy: -205.730 flat angles P-C4'-P energy: -144.950 tors. eta vs tors. theta energy: -303.896 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: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -3647.342903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3647.342903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3647.342903 (E_RNA) where: Base-Base interactions energy: -2648.220 where: short stacking energy: -1021.871 Base-Backbone interact. energy: 0.190 local terms energy: -999.312825 where: bonds (distance) C4'-P energy: -178.950 bonds (distance) P-C4' energy: -174.239 flat angles C4'-P-C4' energy: -202.403 flat angles P-C4'-P energy: -148.066 tors. eta vs tors. theta energy: -295.654 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: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -3581.902154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3581.902154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3581.902154 (E_RNA) where: Base-Base interactions energy: -2656.971 where: short stacking energy: -1010.462 Base-Backbone interact. energy: 4.324 local terms energy: -929.255711 where: bonds (distance) C4'-P energy: -153.051 bonds (distance) P-C4' energy: -140.138 flat angles C4'-P-C4' energy: -208.634 flat angles P-C4'-P energy: -130.987 tors. eta vs tors. theta energy: -296.446 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -3467.899427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.899427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.899427 (E_RNA) where: Base-Base interactions energy: -2542.286 where: short stacking energy: -979.741 Base-Backbone interact. energy: -0.013 local terms energy: -925.600494 where: bonds (distance) C4'-P energy: -153.812 bonds (distance) P-C4' energy: -138.452 flat angles C4'-P-C4' energy: -210.222 flat angles P-C4'-P energy: -132.394 tors. eta vs tors. theta energy: -290.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -3413.035129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3413.035129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3413.035129 (E_RNA) where: Base-Base interactions energy: -2466.250 where: short stacking energy: -933.004 Base-Backbone interact. energy: -2.803 local terms energy: -943.982108 where: bonds (distance) C4'-P energy: -160.478 bonds (distance) P-C4' energy: -175.673 flat angles C4'-P-C4' energy: -200.282 flat angles P-C4'-P energy: -135.694 tors. eta vs tors. theta energy: -271.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -3235.035607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.035607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.035607 (E_RNA) where: Base-Base interactions energy: -2311.149 where: short stacking energy: -908.423 Base-Backbone interact. energy: 1.333 local terms energy: -925.220288 where: bonds (distance) C4'-P energy: -146.843 bonds (distance) P-C4' energy: -165.829 flat angles C4'-P-C4' energy: -198.512 flat angles P-C4'-P energy: -132.004 tors. eta vs tors. theta energy: -282.033 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: 393 Temperature: 1.300000 Total energy: -3017.717728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.717728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.717728 (E_RNA) where: Base-Base interactions energy: -2176.510 where: short stacking energy: -872.530 Base-Backbone interact. energy: 4.646 local terms energy: -845.853830 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -149.709 flat angles C4'-P-C4' energy: -192.325 flat angles P-C4'-P energy: -127.610 tors. eta vs tors. theta energy: -240.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -2743.742341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.742341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.742341 (E_RNA) where: Base-Base interactions energy: -1979.474 where: short stacking energy: -790.990 Base-Backbone interact. energy: 1.630 local terms energy: -765.898622 where: bonds (distance) C4'-P energy: -149.791 bonds (distance) P-C4' energy: -123.948 flat angles C4'-P-C4' energy: -166.305 flat angles P-C4'-P energy: -105.290 tors. eta vs tors. theta energy: -220.564 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: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3911.544143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3911.544143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3911.544143 (E_RNA) where: Base-Base interactions energy: -2851.087 where: short stacking energy: -1081.196 Base-Backbone interact. energy: 0.540 local terms energy: -1060.997838 where: bonds (distance) C4'-P energy: -189.143 bonds (distance) P-C4' energy: -180.395 flat angles C4'-P-C4' energy: -213.345 flat angles P-C4'-P energy: -161.625 tors. eta vs tors. theta energy: -316.489 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: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -3823.345972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.345972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.345972 (E_RNA) where: Base-Base interactions energy: -2789.909 where: short stacking energy: -1084.449 Base-Backbone interact. energy: -1.775 local terms energy: -1031.661777 where: bonds (distance) C4'-P energy: -171.463 bonds (distance) P-C4' energy: -180.372 flat angles C4'-P-C4' energy: -214.790 flat angles P-C4'-P energy: -150.527 tors. eta vs tors. theta energy: -314.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -3709.312463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3709.312463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3709.312463 (E_RNA) where: Base-Base interactions energy: -2725.226 where: short stacking energy: -1047.391 Base-Backbone interact. energy: -1.859 local terms energy: -982.226843 where: bonds (distance) C4'-P energy: -162.643 bonds (distance) P-C4' energy: -162.044 flat angles C4'-P-C4' energy: -205.077 flat angles P-C4'-P energy: -141.518 tors. eta vs tors. theta energy: -310.945 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: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -3597.286697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.286697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.286697 (E_RNA) where: Base-Base interactions energy: -2638.099 where: short stacking energy: -1030.794 Base-Backbone interact. energy: -2.780 local terms energy: -956.407523 where: bonds (distance) C4'-P energy: -158.081 bonds (distance) P-C4' energy: -157.222 flat angles C4'-P-C4' energy: -207.832 flat angles P-C4'-P energy: -132.248 tors. eta vs tors. theta energy: -301.024 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: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -3524.913414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3524.913414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3524.913414 (E_RNA) where: Base-Base interactions energy: -2555.431 where: short stacking energy: -988.020 Base-Backbone interact. energy: 1.007 local terms energy: -970.489459 where: bonds (distance) C4'-P energy: -163.375 bonds (distance) P-C4' energy: -167.772 flat angles C4'-P-C4' energy: -212.669 flat angles P-C4'-P energy: -134.274 tors. eta vs tors. theta energy: -292.399 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: 6, replica: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -3488.983523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.983523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.983523 (E_RNA) where: Base-Base interactions energy: -2545.246 where: short stacking energy: -988.812 Base-Backbone interact. energy: -0.542 local terms energy: -943.195759 where: bonds (distance) C4'-P energy: -148.960 bonds (distance) P-C4' energy: -157.616 flat angles C4'-P-C4' energy: -200.144 flat angles P-C4'-P energy: -150.833 tors. eta vs tors. theta energy: -285.643 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: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -3449.037534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3449.037534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3449.037534 (E_RNA) where: Base-Base interactions energy: -2485.324 where: short stacking energy: -948.986 Base-Backbone interact. energy: -3.540 local terms energy: -960.174032 where: bonds (distance) C4'-P energy: -163.835 bonds (distance) P-C4' energy: -175.571 flat angles C4'-P-C4' energy: -203.909 flat angles P-C4'-P energy: -131.032 tors. eta vs tors. theta energy: -285.827 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: 394 Temperature: 1.250000 Total energy: -3213.728231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.728231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.728231 (E_RNA) where: Base-Base interactions energy: -2325.396 where: short stacking energy: -927.498 Base-Backbone interact. energy: 3.371 local terms energy: -891.703521 where: bonds (distance) C4'-P energy: -163.829 bonds (distance) P-C4' energy: -136.341 flat angles C4'-P-C4' energy: -194.854 flat angles P-C4'-P energy: -125.744 tors. eta vs tors. theta energy: -270.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -3014.357943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.357943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.357943 (E_RNA) where: Base-Base interactions energy: -2172.307 where: short stacking energy: -857.862 Base-Backbone interact. energy: -1.352 local terms energy: -840.699487 where: bonds (distance) C4'-P energy: -156.102 bonds (distance) P-C4' energy: -148.438 flat angles C4'-P-C4' energy: -187.773 flat angles P-C4'-P energy: -108.341 tors. eta vs tors. theta energy: -240.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -2629.337356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.337356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.337356 (E_RNA) where: Base-Base interactions energy: -1859.505 where: short stacking energy: -733.120 Base-Backbone interact. energy: 1.073 local terms energy: -770.905049 where: bonds (distance) C4'-P energy: -140.920 bonds (distance) P-C4' energy: -158.963 flat angles C4'-P-C4' energy: -179.494 flat angles P-C4'-P energy: -94.102 tors. eta vs tors. theta energy: -197.426 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: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3917.064179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3917.064179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3917.064179 (E_RNA) where: Base-Base interactions energy: -2853.864 where: short stacking energy: -1118.235 Base-Backbone interact. energy: -1.647 local terms energy: -1061.552646 where: bonds (distance) C4'-P energy: -185.155 bonds (distance) P-C4' energy: -190.052 flat angles C4'-P-C4' energy: -239.942 flat angles P-C4'-P energy: -135.652 tors. eta vs tors. theta energy: -310.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -3809.922822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3809.922822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3809.922822 (E_RNA) where: Base-Base interactions energy: -2782.959 where: short stacking energy: -1086.635 Base-Backbone interact. energy: -0.462 local terms energy: -1026.501730 where: bonds (distance) C4'-P energy: -182.322 bonds (distance) P-C4' energy: -176.330 flat angles C4'-P-C4' energy: -215.901 flat angles P-C4'-P energy: -136.421 tors. eta vs tors. theta energy: -315.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -3716.106900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3716.106900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3716.106900 (E_RNA) where: Base-Base interactions energy: -2722.940 where: short stacking energy: -1041.545 Base-Backbone interact. energy: -0.354 local terms energy: -992.813004 where: bonds (distance) C4'-P energy: -166.598 bonds (distance) P-C4' energy: -195.705 flat angles C4'-P-C4' energy: -190.768 flat angles P-C4'-P energy: -135.348 tors. eta vs tors. theta energy: -304.394 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: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -3596.714187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3596.714187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3596.714187 (E_RNA) where: Base-Base interactions energy: -2604.498 where: short stacking energy: -1014.818 Base-Backbone interact. energy: -1.751 local terms energy: -990.465644 where: bonds (distance) C4'-P energy: -166.112 bonds (distance) P-C4' energy: -170.802 flat angles C4'-P-C4' energy: -203.826 flat angles P-C4'-P energy: -148.037 tors. eta vs tors. theta energy: -301.690 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: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -3558.826896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.826896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.826896 (E_RNA) where: Base-Base interactions energy: -2604.351 where: short stacking energy: -980.849 Base-Backbone interact. energy: -1.395 local terms energy: -953.080954 where: bonds (distance) C4'-P energy: -138.235 bonds (distance) P-C4' energy: -178.991 flat angles C4'-P-C4' energy: -199.273 flat angles P-C4'-P energy: -142.346 tors. eta vs tors. theta energy: -294.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -3481.042695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.042695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.042695 (E_RNA) where: Base-Base interactions energy: -2519.808 where: short stacking energy: -961.654 Base-Backbone interact. energy: -0.153 local terms energy: -961.081513 where: bonds (distance) C4'-P energy: -161.384 bonds (distance) P-C4' energy: -169.440 flat angles C4'-P-C4' energy: -194.630 flat angles P-C4'-P energy: -151.071 tors. eta vs tors. theta energy: -284.556 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: 9 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -3380.400405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3380.400405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3380.400405 (E_RNA) where: Base-Base interactions energy: -2514.334 where: short stacking energy: -960.595 Base-Backbone interact. energy: 0.076 local terms energy: -866.141953 where: bonds (distance) C4'-P energy: -143.486 bonds (distance) P-C4' energy: -143.125 flat angles C4'-P-C4' energy: -177.343 flat angles P-C4'-P energy: -122.247 tors. eta vs tors. theta energy: -279.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -3226.014839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.014839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.014839 (E_RNA) where: Base-Base interactions energy: -2316.779 where: short stacking energy: -898.611 Base-Backbone interact. energy: 1.806 local terms energy: -911.041898 where: bonds (distance) C4'-P energy: -163.120 bonds (distance) P-C4' energy: -145.334 flat angles C4'-P-C4' energy: -203.806 flat angles P-C4'-P energy: -133.615 tors. eta vs tors. theta energy: -265.167 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: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -3118.775047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.775047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.775047 (E_RNA) where: Base-Base interactions energy: -2302.282 where: short stacking energy: -903.589 Base-Backbone interact. energy: -2.267 local terms energy: -814.225682 where: bonds (distance) C4'-P energy: -141.919 bonds (distance) P-C4' energy: -135.601 flat angles C4'-P-C4' energy: -183.346 flat angles P-C4'-P energy: -95.754 tors. eta vs tors. theta energy: -257.605 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: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -2650.297798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.297798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.297798 (E_RNA) where: Base-Base interactions energy: -1890.705 where: short stacking energy: -747.157 Base-Backbone interact. energy: 0.365 local terms energy: -759.957493 where: bonds (distance) C4'-P energy: -145.399 bonds (distance) P-C4' energy: -132.290 flat angles C4'-P-C4' energy: -174.270 flat angles P-C4'-P energy: -99.537 tors. eta vs tors. theta energy: -208.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3914.758431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3914.758431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3914.758431 (E_RNA) where: Base-Base interactions energy: -2842.594 where: short stacking energy: -1102.669 Base-Backbone interact. energy: -5.967 local terms energy: -1066.197292 where: bonds (distance) C4'-P energy: -184.618 bonds (distance) P-C4' energy: -193.655 flat angles C4'-P-C4' energy: -226.072 flat angles P-C4'-P energy: -147.710 tors. eta vs tors. theta energy: -314.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -3814.055556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3814.055556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3814.055556 (E_RNA) where: Base-Base interactions energy: -2773.487 where: short stacking energy: -1087.620 Base-Backbone interact. energy: -1.656 local terms energy: -1038.912483 where: bonds (distance) C4'-P energy: -157.144 bonds (distance) P-C4' energy: -178.250 flat angles C4'-P-C4' energy: -214.486 flat angles P-C4'-P energy: -162.479 tors. eta vs tors. theta energy: -326.553 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: 396 Temperature: 1.000000 Total energy: -3701.223755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3701.223755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3701.223755 (E_RNA) where: Base-Base interactions energy: -2693.537 where: short stacking energy: -1027.395 Base-Backbone interact. energy: 0.730 local terms energy: -1008.416179 where: bonds (distance) C4'-P energy: -186.370 bonds (distance) P-C4' energy: -174.537 flat angles C4'-P-C4' energy: -209.485 flat angles P-C4'-P energy: -146.456 tors. eta vs tors. theta energy: -291.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -3618.388149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3618.388149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3618.388149 (E_RNA) where: Base-Base interactions energy: -2628.968 where: short stacking energy: -1023.872 Base-Backbone interact. energy: -2.146 local terms energy: -987.273942 where: bonds (distance) C4'-P energy: -150.701 bonds (distance) P-C4' energy: -173.922 flat angles C4'-P-C4' energy: -213.409 flat angles P-C4'-P energy: -142.953 tors. eta vs tors. theta energy: -306.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -3542.342983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3542.342983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3542.342983 (E_RNA) where: Base-Base interactions energy: -2583.909 where: short stacking energy: -1014.749 Base-Backbone interact. energy: -2.758 local terms energy: -955.676368 where: bonds (distance) C4'-P energy: -146.626 bonds (distance) P-C4' energy: -160.143 flat angles C4'-P-C4' energy: -205.089 flat angles P-C4'-P energy: -145.827 tors. eta vs tors. theta energy: -297.991 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: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -3494.192051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3494.192051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3494.192051 (E_RNA) where: Base-Base interactions energy: -2562.032 where: short stacking energy: -991.487 Base-Backbone interact. energy: -2.226 local terms energy: -929.934361 where: bonds (distance) C4'-P energy: -152.464 bonds (distance) P-C4' energy: -166.140 flat angles C4'-P-C4' energy: -189.638 flat angles P-C4'-P energy: -131.209 tors. eta vs tors. theta energy: -290.483 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: 7, replica: 9 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -3370.963079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3370.963079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3370.963079 (E_RNA) where: Base-Base interactions energy: -2458.257 where: short stacking energy: -939.048 Base-Backbone interact. energy: 4.728 local terms energy: -917.434245 where: bonds (distance) C4'-P energy: -149.640 bonds (distance) P-C4' energy: -161.130 flat angles C4'-P-C4' energy: -205.144 flat angles P-C4'-P energy: -127.033 tors. eta vs tors. theta energy: -274.487 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: 6 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -3232.325251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.325251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.325251 (E_RNA) where: Base-Base interactions energy: -2325.678 where: short stacking energy: -901.533 Base-Backbone interact. energy: -0.823 local terms energy: -905.824471 where: bonds (distance) C4'-P energy: -142.160 bonds (distance) P-C4' energy: -158.511 flat angles C4'-P-C4' energy: -199.764 flat angles P-C4'-P energy: -122.003 tors. eta vs tors. theta energy: -283.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -3069.458123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.458123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.458123 (E_RNA) where: Base-Base interactions energy: -2237.747 where: short stacking energy: -867.196 Base-Backbone interact. energy: -0.840 local terms energy: -830.871838 where: bonds (distance) C4'-P energy: -154.144 bonds (distance) P-C4' energy: -132.008 flat angles C4'-P-C4' energy: -180.301 flat angles P-C4'-P energy: -106.541 tors. eta vs tors. theta energy: -257.877 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: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -2670.315577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.315577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.315577 (E_RNA) where: Base-Base interactions energy: -1921.328 where: short stacking energy: -745.854 Base-Backbone interact. energy: 1.273 local terms energy: -750.260940 where: bonds (distance) C4'-P energy: -147.966 bonds (distance) P-C4' energy: -126.022 flat angles C4'-P-C4' energy: -171.026 flat angles P-C4'-P energy: -119.491 tors. eta vs tors. theta energy: -185.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3931.509213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3931.509213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3931.509213 (E_RNA) where: Base-Base interactions energy: -2863.314 where: short stacking energy: -1086.936 Base-Backbone interact. energy: -2.490 local terms energy: -1065.704691 where: bonds (distance) C4'-P energy: -180.517 bonds (distance) P-C4' energy: -208.694 flat angles C4'-P-C4' energy: -216.632 flat angles P-C4'-P energy: -147.639 tors. eta vs tors. theta energy: -312.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -3796.704372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3796.704372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3796.704372 (E_RNA) where: Base-Base interactions energy: -2742.133 where: short stacking energy: -1064.581 Base-Backbone interact. energy: -4.513 local terms energy: -1050.059059 where: bonds (distance) C4'-P energy: -174.870 bonds (distance) P-C4' energy: -180.392 flat angles C4'-P-C4' energy: -221.338 flat angles P-C4'-P energy: -160.809 tors. eta vs tors. theta energy: -312.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -3762.697794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3762.697794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3762.697794 (E_RNA) where: Base-Base interactions energy: -2746.407 where: short stacking energy: -1063.905 Base-Backbone interact. energy: -2.697 local terms energy: -1013.593926 where: bonds (distance) C4'-P energy: -191.389 bonds (distance) P-C4' energy: -175.579 flat angles C4'-P-C4' energy: -208.111 flat angles P-C4'-P energy: -135.487 tors. eta vs tors. theta energy: -303.027 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: 397 Temperature: 1.050000 Total energy: -3650.810988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.810988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.810988 (E_RNA) where: Base-Base interactions energy: -2655.535 where: short stacking energy: -1034.549 Base-Backbone interact. energy: -1.131 local terms energy: -994.145106 where: bonds (distance) C4'-P energy: -157.388 bonds (distance) P-C4' energy: -173.297 flat angles C4'-P-C4' energy: -213.907 flat angles P-C4'-P energy: -150.422 tors. eta vs tors. theta energy: -299.131 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: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -3565.140568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3565.140568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3565.140568 (E_RNA) where: Base-Base interactions energy: -2587.384 where: short stacking energy: -994.937 Base-Backbone interact. energy: -2.389 local terms energy: -975.367931 where: bonds (distance) C4'-P energy: -159.711 bonds (distance) P-C4' energy: -175.863 flat angles C4'-P-C4' energy: -202.484 flat angles P-C4'-P energy: -142.912 tors. eta vs tors. theta energy: -294.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -3525.664811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.664811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.664811 (E_RNA) where: Base-Base interactions energy: -2568.929 where: short stacking energy: -1016.494 Base-Backbone interact. energy: -3.609 local terms energy: -953.126421 where: bonds (distance) C4'-P energy: -157.748 bonds (distance) P-C4' energy: -153.441 flat angles C4'-P-C4' energy: -200.611 flat angles P-C4'-P energy: -130.649 tors. eta vs tors. theta energy: -310.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -3366.251730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3366.251730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3366.251730 (E_RNA) where: Base-Base interactions energy: -2458.533 where: short stacking energy: -942.787 Base-Backbone interact. energy: 1.535 local terms energy: -909.254023 where: bonds (distance) C4'-P energy: -171.229 bonds (distance) P-C4' energy: -164.538 flat angles C4'-P-C4' energy: -177.437 flat angles P-C4'-P energy: -117.604 tors. eta vs tors. theta energy: -278.445 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: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -3263.191275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.191275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.191275 (E_RNA) where: Base-Base interactions energy: -2412.643 where: short stacking energy: -931.091 Base-Backbone interact. energy: 0.016 local terms energy: -850.564464 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -112.964 flat angles C4'-P-C4' energy: -193.260 flat angles P-C4'-P energy: -136.239 tors. eta vs tors. theta energy: -284.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -3084.414313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.414313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.414313 (E_RNA) where: Base-Base interactions energy: -2211.172 where: short stacking energy: -848.869 Base-Backbone interact. energy: -1.435 local terms energy: -871.807437 where: bonds (distance) C4'-P energy: -128.816 bonds (distance) P-C4' energy: -142.178 flat angles C4'-P-C4' energy: -200.653 flat angles P-C4'-P energy: -128.744 tors. eta vs tors. theta energy: -271.416 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: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -2654.238871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.238871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.238871 (E_RNA) where: Base-Base interactions energy: -1887.985 where: short stacking energy: -776.930 Base-Backbone interact. energy: 5.574 local terms energy: -771.827803 where: bonds (distance) C4'-P energy: -141.398 bonds (distance) P-C4' energy: -136.294 flat angles C4'-P-C4' energy: -165.649 flat angles P-C4'-P energy: -120.620 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: 1, replica: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3904.885073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3904.885073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3904.885073 (E_RNA) where: Base-Base interactions energy: -2856.336 where: short stacking energy: -1094.174 Base-Backbone interact. energy: -2.140 local terms energy: -1046.409293 where: bonds (distance) C4'-P energy: -173.183 bonds (distance) P-C4' energy: -198.308 flat angles C4'-P-C4' energy: -219.370 flat angles P-C4'-P energy: -144.306 tors. eta vs tors. theta energy: -311.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -3806.167473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3806.167473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3806.167473 (E_RNA) where: Base-Base interactions energy: -2767.005 where: short stacking energy: -1070.229 Base-Backbone interact. energy: 3.436 local terms energy: -1042.598447 where: bonds (distance) C4'-P energy: -179.447 bonds (distance) P-C4' energy: -189.358 flat angles C4'-P-C4' energy: -212.885 flat angles P-C4'-P energy: -152.233 tors. eta vs tors. theta energy: -308.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -3768.378400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3768.378400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3768.378400 (E_RNA) where: Base-Base interactions energy: -2749.983 where: short stacking energy: -1052.405 Base-Backbone interact. energy: 0.518 local terms energy: -1018.912516 where: bonds (distance) C4'-P energy: -172.795 bonds (distance) P-C4' energy: -183.338 flat angles C4'-P-C4' energy: -208.505 flat angles P-C4'-P energy: -147.646 tors. eta vs tors. theta energy: -306.629 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: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -3634.627692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3634.627692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3634.627692 (E_RNA) where: Base-Base interactions energy: -2629.464 where: short stacking energy: -1024.732 Base-Backbone interact. energy: -1.019 local terms energy: -1004.144839 where: bonds (distance) C4'-P energy: -177.710 bonds (distance) P-C4' energy: -166.216 flat angles C4'-P-C4' energy: -214.265 flat angles P-C4'-P energy: -148.537 tors. eta vs tors. theta energy: -297.417 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: 10 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -3533.914959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3533.914959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3533.914959 (E_RNA) where: Base-Base interactions energy: -2583.539 where: short stacking energy: -997.877 Base-Backbone interact. energy: -1.959 local terms energy: -948.416842 where: bonds (distance) C4'-P energy: -161.165 bonds (distance) P-C4' energy: -154.889 flat angles C4'-P-C4' energy: -208.520 flat angles P-C4'-P energy: -131.846 tors. eta vs tors. theta energy: -291.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -3465.359143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3465.359143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3465.359143 (E_RNA) where: Base-Base interactions energy: -2520.645 where: short stacking energy: -959.871 Base-Backbone interact. energy: 0.160 local terms energy: -944.873751 where: bonds (distance) C4'-P energy: -152.013 bonds (distance) P-C4' energy: -186.520 flat angles C4'-P-C4' energy: -206.051 flat angles P-C4'-P energy: -116.876 tors. eta vs tors. theta energy: -283.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -3381.402994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3381.402994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3381.402994 (E_RNA) where: Base-Base interactions energy: -2481.453 where: short stacking energy: -943.612 Base-Backbone interact. energy: 3.722 local terms energy: -903.672959 where: bonds (distance) C4'-P energy: -153.439 bonds (distance) P-C4' energy: -148.418 flat angles C4'-P-C4' energy: -200.964 flat angles P-C4'-P energy: -128.222 tors. eta vs tors. theta energy: -272.629 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: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -3253.202453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.202453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.202453 (E_RNA) where: Base-Base interactions energy: -2354.051 where: short stacking energy: -904.099 Base-Backbone interact. energy: -2.040 local terms energy: -897.111955 where: bonds (distance) C4'-P energy: -153.348 bonds (distance) P-C4' energy: -151.375 flat angles C4'-P-C4' energy: -187.134 flat angles P-C4'-P energy: -127.927 tors. eta vs tors. theta energy: -277.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -3091.715843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.715843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.715843 (E_RNA) where: Base-Base interactions energy: -2248.832 where: short stacking energy: -872.286 Base-Backbone interact. energy: -1.831 local terms energy: -841.052172 where: bonds (distance) C4'-P energy: -128.195 bonds (distance) P-C4' energy: -151.542 flat angles C4'-P-C4' energy: -182.821 flat angles P-C4'-P energy: -128.176 tors. eta vs tors. theta energy: -250.319 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: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -2631.622178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.622178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.622178 (E_RNA) where: Base-Base interactions energy: -1886.304 where: short stacking energy: -745.217 Base-Backbone interact. energy: -1.942 local terms energy: -743.376337 where: bonds (distance) C4'-P energy: -131.097 bonds (distance) P-C4' energy: -127.791 flat angles C4'-P-C4' energy: -173.089 flat angles P-C4'-P energy: -107.536 tors. eta vs tors. theta energy: -203.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3906.993633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3906.993633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3906.993633 (E_RNA) where: Base-Base interactions energy: -2844.903 where: short stacking energy: -1079.663 Base-Backbone interact. energy: -0.595 local terms energy: -1061.495618 where: bonds (distance) C4'-P energy: -171.099 bonds (distance) P-C4' energy: -200.430 flat angles C4'-P-C4' energy: -225.177 flat angles P-C4'-P energy: -148.609 tors. eta vs tors. theta energy: -316.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -3825.955622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.955622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.955622 (E_RNA) where: Base-Base interactions energy: -2769.052 where: short stacking energy: -1068.755 Base-Backbone interact. energy: -0.024 local terms energy: -1056.880175 where: bonds (distance) C4'-P energy: -176.383 bonds (distance) P-C4' energy: -184.493 flat angles C4'-P-C4' energy: -229.860 flat angles P-C4'-P energy: -161.522 tors. eta vs tors. theta energy: -304.622 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: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -3744.812143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3744.812143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3744.812143 (E_RNA) where: Base-Base interactions energy: -2735.576 where: short stacking energy: -1046.301 Base-Backbone interact. energy: -0.385 local terms energy: -1008.851183 where: bonds (distance) C4'-P energy: -176.306 bonds (distance) P-C4' energy: -185.444 flat angles C4'-P-C4' energy: -204.825 flat angles P-C4'-P energy: -141.610 tors. eta vs tors. theta energy: -300.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -3595.669278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3595.669278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3595.669278 (E_RNA) where: Base-Base interactions energy: -2600.196 where: short stacking energy: -999.800 Base-Backbone interact. energy: -3.688 local terms energy: -991.785160 where: bonds (distance) C4'-P energy: -172.481 bonds (distance) P-C4' energy: -170.890 flat angles C4'-P-C4' energy: -209.172 flat angles P-C4'-P energy: -139.049 tors. eta vs tors. theta energy: -300.192 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: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -3539.400111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3539.400111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3539.400111 (E_RNA) where: Base-Base interactions energy: -2588.928 where: short stacking energy: -990.548 Base-Backbone interact. energy: -2.862 local terms energy: -947.610464 where: bonds (distance) C4'-P energy: -153.935 bonds (distance) P-C4' energy: -161.044 flat angles C4'-P-C4' energy: -199.115 flat angles P-C4'-P energy: -139.791 tors. eta vs tors. theta energy: -293.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -3426.485175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3426.485175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3426.485175 (E_RNA) where: Base-Base interactions energy: -2479.585 where: short stacking energy: -947.467 Base-Backbone interact. energy: -1.599 local terms energy: -945.301325 where: bonds (distance) C4'-P energy: -165.854 bonds (distance) P-C4' energy: -160.476 flat angles C4'-P-C4' energy: -192.427 flat angles P-C4'-P energy: -140.519 tors. eta vs tors. theta energy: -286.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -3403.512994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3403.512994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3403.512994 (E_RNA) where: Base-Base interactions energy: -2444.897 where: short stacking energy: -932.249 Base-Backbone interact. energy: -4.622 local terms energy: -953.994014 where: bonds (distance) C4'-P energy: -171.125 bonds (distance) P-C4' energy: -177.566 flat angles C4'-P-C4' energy: -208.301 flat angles P-C4'-P energy: -116.879 tors. eta vs tors. theta energy: -280.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -3162.855026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.855026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.855026 (E_RNA) where: Base-Base interactions energy: -2326.951 where: short stacking energy: -902.536 Base-Backbone interact. energy: -1.057 local terms energy: -834.846512 where: bonds (distance) C4'-P energy: -129.454 bonds (distance) P-C4' energy: -135.791 flat angles C4'-P-C4' energy: -178.837 flat angles P-C4'-P energy: -107.156 tors. eta vs tors. theta energy: -283.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -3075.232126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.232126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.232126 (E_RNA) where: Base-Base interactions energy: -2237.899 where: short stacking energy: -885.704 Base-Backbone interact. energy: -1.389 local terms energy: -835.944197 where: bonds (distance) C4'-P energy: -131.207 bonds (distance) P-C4' energy: -149.038 flat angles C4'-P-C4' energy: -173.303 flat angles P-C4'-P energy: -117.242 tors. eta vs tors. theta energy: -265.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -2615.449353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.449353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.449353 (E_RNA) where: Base-Base interactions energy: -1901.381 where: short stacking energy: -736.833 Base-Backbone interact. energy: -0.347 local terms energy: -713.720894 where: bonds (distance) C4'-P energy: -135.367 bonds (distance) P-C4' energy: -130.502 flat angles C4'-P-C4' energy: -162.124 flat angles P-C4'-P energy: -97.371 tors. eta vs tors. theta energy: -188.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3905.555781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3905.555781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3905.555781 (E_RNA) where: Base-Base interactions energy: -2866.121 where: short stacking energy: -1112.982 Base-Backbone interact. energy: -0.550 local terms energy: -1038.884741 where: bonds (distance) C4'-P energy: -177.726 bonds (distance) P-C4' energy: -175.575 flat angles C4'-P-C4' energy: -218.576 flat angles P-C4'-P energy: -158.884 tors. eta vs tors. theta energy: -308.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -3810.261033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3810.261033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3810.261033 (E_RNA) where: Base-Base interactions energy: -2784.735 where: short stacking energy: -1069.070 Base-Backbone interact. energy: -3.423 local terms energy: -1022.103615 where: bonds (distance) C4'-P energy: -174.967 bonds (distance) P-C4' energy: -186.317 flat angles C4'-P-C4' energy: -209.098 flat angles P-C4'-P energy: -149.377 tors. eta vs tors. theta energy: -302.344 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: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -3777.900956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.900956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.900956 (E_RNA) where: Base-Base interactions energy: -2751.760 where: short stacking energy: -1052.930 Base-Backbone interact. energy: 0.085 local terms energy: -1026.226404 where: bonds (distance) C4'-P energy: -180.158 bonds (distance) P-C4' energy: -185.503 flat angles C4'-P-C4' energy: -207.551 flat angles P-C4'-P energy: -146.337 tors. eta vs tors. theta energy: -306.676 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: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -3598.355661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.355661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.355661 (E_RNA) where: Base-Base interactions energy: -2615.547 where: short stacking energy: -1023.172 Base-Backbone interact. energy: 3.309 local terms energy: -986.117721 where: bonds (distance) C4'-P energy: -170.581 bonds (distance) P-C4' energy: -173.891 flat angles C4'-P-C4' energy: -203.660 flat angles P-C4'-P energy: -147.441 tors. eta vs tors. theta energy: -290.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -3503.992736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3503.992736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3503.992736 (E_RNA) where: Base-Base interactions energy: -2537.127 where: short stacking energy: -960.681 Base-Backbone interact. energy: -2.435 local terms energy: -964.431212 where: bonds (distance) C4'-P energy: -177.987 bonds (distance) P-C4' energy: -174.923 flat angles C4'-P-C4' energy: -203.745 flat angles P-C4'-P energy: -123.041 tors. eta vs tors. theta energy: -284.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -3458.024527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.024527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.024527 (E_RNA) where: Base-Base interactions energy: -2503.998 where: short stacking energy: -949.084 Base-Backbone interact. energy: -0.691 local terms energy: -953.335317 where: bonds (distance) C4'-P energy: -163.908 bonds (distance) P-C4' energy: -174.583 flat angles C4'-P-C4' energy: -191.236 flat angles P-C4'-P energy: -129.588 tors. eta vs tors. theta energy: -294.020 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: 9 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -3437.040035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.040035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.040035 (E_RNA) where: Base-Base interactions energy: -2504.195 where: short stacking energy: -969.098 Base-Backbone interact. energy: -3.190 local terms energy: -929.655509 where: bonds (distance) C4'-P energy: -140.195 bonds (distance) P-C4' energy: -160.309 flat angles C4'-P-C4' energy: -202.831 flat angles P-C4'-P energy: -129.951 tors. eta vs tors. theta energy: -296.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -3206.284483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.284483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.284483 (E_RNA) where: Base-Base interactions energy: -2356.784 where: short stacking energy: -911.751 Base-Backbone interact. energy: 0.671 local terms energy: -850.171465 where: bonds (distance) C4'-P energy: -125.163 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -187.044 flat angles P-C4'-P energy: -121.150 tors. eta vs tors. theta energy: -273.832 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: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -3037.894889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.894889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.894889 (E_RNA) where: Base-Base interactions energy: -2214.874 where: short stacking energy: -874.317 Base-Backbone interact. energy: 7.125 local terms energy: -830.145907 where: bonds (distance) C4'-P energy: -154.496 bonds (distance) P-C4' energy: -131.216 flat angles C4'-P-C4' energy: -173.436 flat angles P-C4'-P energy: -120.255 tors. eta vs tors. theta energy: -250.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -2727.060501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.060501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.060501 (E_RNA) where: Base-Base interactions energy: -1940.130 where: short stacking energy: -764.015 Base-Backbone interact. energy: 2.457 local terms energy: -789.387580 where: bonds (distance) C4'-P energy: -140.983 bonds (distance) P-C4' energy: -151.877 flat angles C4'-P-C4' energy: -180.302 flat angles P-C4'-P energy: -98.527 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: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3927.182251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3927.182251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3927.182251 (E_RNA) where: Base-Base interactions energy: -2864.389 where: short stacking energy: -1098.108 Base-Backbone interact. energy: -0.180 local terms energy: -1062.613287 where: bonds (distance) C4'-P energy: -187.775 bonds (distance) P-C4' energy: -181.241 flat angles C4'-P-C4' energy: -225.125 flat angles P-C4'-P energy: -152.698 tors. eta vs tors. theta energy: -315.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -3793.993744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3793.993744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3793.993744 (E_RNA) where: Base-Base interactions energy: -2759.786 where: short stacking energy: -1065.178 Base-Backbone interact. energy: -3.594 local terms energy: -1030.613987 where: bonds (distance) C4'-P energy: -169.705 bonds (distance) P-C4' energy: -181.376 flat angles C4'-P-C4' energy: -209.267 flat angles P-C4'-P energy: -157.567 tors. eta vs tors. theta energy: -312.699 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: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -3726.535909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3726.535909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3726.535909 (E_RNA) where: Base-Base interactions energy: -2730.346 where: short stacking energy: -1061.280 Base-Backbone interact. energy: -1.710 local terms energy: -994.479907 where: bonds (distance) C4'-P energy: -173.388 bonds (distance) P-C4' energy: -173.881 flat angles C4'-P-C4' energy: -206.063 flat angles P-C4'-P energy: -134.502 tors. eta vs tors. theta energy: -306.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -3607.458653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.458653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.458653 (E_RNA) where: Base-Base interactions energy: -2583.012 where: short stacking energy: -1005.409 Base-Backbone interact. energy: -4.301 local terms energy: -1020.145238 where: bonds (distance) C4'-P energy: -173.730 bonds (distance) P-C4' energy: -173.684 flat angles C4'-P-C4' energy: -216.985 flat angles P-C4'-P energy: -151.874 tors. eta vs tors. theta energy: -303.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -3507.215485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3507.215485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3507.215485 (E_RNA) where: Base-Base interactions energy: -2551.626 where: short stacking energy: -968.433 Base-Backbone interact. energy: 2.526 local terms energy: -958.114866 where: bonds (distance) C4'-P energy: -173.764 bonds (distance) P-C4' energy: -171.294 flat angles C4'-P-C4' energy: -208.992 flat angles P-C4'-P energy: -113.945 tors. eta vs tors. theta energy: -290.120 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: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -3461.073077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.073077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.073077 (E_RNA) where: Base-Base interactions energy: -2493.230 where: short stacking energy: -957.642 Base-Backbone interact. energy: -2.518 local terms energy: -965.325605 where: bonds (distance) C4'-P energy: -155.625 bonds (distance) P-C4' energy: -171.838 flat angles C4'-P-C4' energy: -198.237 flat angles P-C4'-P energy: -148.967 tors. eta vs tors. theta energy: -290.659 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: 9 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -3406.389255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3406.389255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3406.389255 (E_RNA) where: Base-Base interactions energy: -2493.511 where: short stacking energy: -973.068 Base-Backbone interact. energy: 2.268 local terms energy: -915.146244 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -132.514 flat angles C4'-P-C4' energy: -198.758 flat angles P-C4'-P energy: -134.361 tors. eta vs tors. theta energy: -301.355 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: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -3213.042096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.042096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.042096 (E_RNA) where: Base-Base interactions energy: -2364.806 where: short stacking energy: -921.434 Base-Backbone interact. energy: -0.092 local terms energy: -848.143700 where: bonds (distance) C4'-P energy: -150.216 bonds (distance) P-C4' energy: -116.112 flat angles C4'-P-C4' energy: -193.544 flat angles P-C4'-P energy: -121.843 tors. eta vs tors. theta energy: -266.429 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: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -3037.416409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.416409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.416409 (E_RNA) where: Base-Base interactions energy: -2211.600 where: short stacking energy: -866.440 Base-Backbone interact. energy: 3.955 local terms energy: -829.770689 where: bonds (distance) C4'-P energy: -148.251 bonds (distance) P-C4' energy: -132.090 flat angles C4'-P-C4' energy: -175.034 flat angles P-C4'-P energy: -129.504 tors. eta vs tors. theta energy: -244.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -2767.392703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.392703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.392703 (E_RNA) where: Base-Base interactions energy: -2038.547 where: short stacking energy: -793.377 Base-Backbone interact. energy: 1.756 local terms energy: -730.601271 where: bonds (distance) C4'-P energy: -108.293 bonds (distance) P-C4' energy: -129.266 flat angles C4'-P-C4' energy: -147.279 flat angles P-C4'-P energy: -119.396 tors. eta vs tors. theta energy: -226.368 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: 1 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3900.307944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3900.307944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3900.307944 (E_RNA) where: Base-Base interactions energy: -2832.043 where: short stacking energy: -1084.817 Base-Backbone interact. energy: -3.832 local terms energy: -1064.432918 where: bonds (distance) C4'-P energy: -181.503 bonds (distance) P-C4' energy: -191.648 flat angles C4'-P-C4' energy: -230.066 flat angles P-C4'-P energy: -159.617 tors. eta vs tors. theta energy: -301.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3820.784854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3820.784854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3820.784854 (E_RNA) where: Base-Base interactions energy: -2792.322 where: short stacking energy: -1063.635 Base-Backbone interact. energy: -2.746 local terms energy: -1025.716907 where: bonds (distance) C4'-P energy: -178.820 bonds (distance) P-C4' energy: -191.040 flat angles C4'-P-C4' energy: -211.610 flat angles P-C4'-P energy: -146.597 tors. eta vs tors. theta energy: -297.650 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: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -3724.536749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3724.536749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3724.536749 (E_RNA) where: Base-Base interactions energy: -2712.656 where: short stacking energy: -1043.507 Base-Backbone interact. energy: -1.189 local terms energy: -1010.691518 where: bonds (distance) C4'-P energy: -175.282 bonds (distance) P-C4' energy: -184.115 flat angles C4'-P-C4' energy: -205.687 flat angles P-C4'-P energy: -133.673 tors. eta vs tors. theta energy: -311.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -3620.392828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3620.392828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3620.392828 (E_RNA) where: Base-Base interactions energy: -2628.599 where: short stacking energy: -1037.165 Base-Backbone interact. energy: -0.992 local terms energy: -990.801636 where: bonds (distance) C4'-P energy: -167.711 bonds (distance) P-C4' energy: -164.796 flat angles C4'-P-C4' energy: -213.166 flat angles P-C4'-P energy: -142.515 tors. eta vs tors. theta energy: -302.613 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: 5, replica: 8 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -3587.232840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3587.232840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3587.232840 (E_RNA) where: Base-Base interactions energy: -2614.849 where: short stacking energy: -1019.968 Base-Backbone interact. energy: -1.448 local terms energy: -970.935577 where: bonds (distance) C4'-P energy: -150.803 bonds (distance) P-C4' energy: -163.345 flat angles C4'-P-C4' energy: -223.301 flat angles P-C4'-P energy: -132.163 tors. eta vs tors. theta energy: -301.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -3405.385303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3405.385303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3405.385303 (E_RNA) where: Base-Base interactions energy: -2489.552 where: short stacking energy: -941.291 Base-Backbone interact. energy: -1.944 local terms energy: -913.889693 where: bonds (distance) C4'-P energy: -153.828 bonds (distance) P-C4' energy: -160.390 flat angles C4'-P-C4' energy: -184.962 flat angles P-C4'-P energy: -133.185 tors. eta vs tors. theta energy: -281.526 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: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -3385.268860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3385.268860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3385.268860 (E_RNA) where: Base-Base interactions energy: -2490.219 where: short stacking energy: -946.907 Base-Backbone interact. energy: 4.009 local terms energy: -899.058227 where: bonds (distance) C4'-P energy: -158.913 bonds (distance) P-C4' energy: -144.456 flat angles C4'-P-C4' energy: -193.848 flat angles P-C4'-P energy: -120.970 tors. eta vs tors. theta energy: -280.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -3225.838451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.838451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.838451 (E_RNA) where: Base-Base interactions energy: -2364.593 where: short stacking energy: -932.961 Base-Backbone interact. energy: -0.965 local terms energy: -860.279902 where: bonds (distance) C4'-P energy: -139.330 bonds (distance) P-C4' energy: -139.148 flat angles C4'-P-C4' energy: -186.811 flat angles P-C4'-P energy: -124.698 tors. eta vs tors. theta energy: -270.293 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: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -3018.482975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.482975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.482975 (E_RNA) where: Base-Base interactions energy: -2166.460 where: short stacking energy: -842.437 Base-Backbone interact. energy: 1.777 local terms energy: -853.800301 where: bonds (distance) C4'-P energy: -160.444 bonds (distance) P-C4' energy: -138.310 flat angles C4'-P-C4' energy: -174.623 flat angles P-C4'-P energy: -119.516 tors. eta vs tors. theta energy: -260.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -2675.581659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.581659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.581659 (E_RNA) where: Base-Base interactions energy: -1966.019 where: short stacking energy: -766.529 Base-Backbone interact. energy: 1.930 local terms energy: -711.493062 where: bonds (distance) C4'-P energy: -98.094 bonds (distance) P-C4' energy: -117.737 flat angles C4'-P-C4' energy: -183.242 flat angles P-C4'-P energy: -111.788 tors. eta vs tors. theta energy: -200.632 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: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3914.316763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3914.316763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3914.316763 (E_RNA) where: Base-Base interactions energy: -2862.815 where: short stacking energy: -1105.358 Base-Backbone interact. energy: -2.641 local terms energy: -1048.860674 where: bonds (distance) C4'-P energy: -186.266 bonds (distance) P-C4' energy: -175.812 flat angles C4'-P-C4' energy: -217.794 flat angles P-C4'-P energy: -149.141 tors. eta vs tors. theta energy: -319.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3806.717554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3806.717554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3806.717554 (E_RNA) where: Base-Base interactions energy: -2782.094 where: short stacking energy: -1071.862 Base-Backbone interact. energy: -0.908 local terms energy: -1023.714803 where: bonds (distance) C4'-P energy: -163.310 bonds (distance) P-C4' energy: -169.536 flat angles C4'-P-C4' energy: -223.005 flat angles P-C4'-P energy: -147.621 tors. eta vs tors. theta energy: -320.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -3734.268798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.268798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.268798 (E_RNA) where: Base-Base interactions energy: -2738.617 where: short stacking energy: -1062.326 Base-Backbone interact. energy: -2.646 local terms energy: -993.006290 where: bonds (distance) C4'-P energy: -182.399 bonds (distance) P-C4' energy: -171.864 flat angles C4'-P-C4' energy: -212.238 flat angles P-C4'-P energy: -120.528 tors. eta vs tors. theta energy: -305.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -3595.214795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3595.214795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3595.214795 (E_RNA) where: Base-Base interactions energy: -2608.826 where: short stacking energy: -1009.746 Base-Backbone interact. energy: 0.801 local terms energy: -987.189470 where: bonds (distance) C4'-P energy: -168.338 bonds (distance) P-C4' energy: -154.299 flat angles C4'-P-C4' energy: -218.633 flat angles P-C4'-P energy: -147.127 tors. eta vs tors. theta energy: -298.793 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: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -3577.231019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3577.231019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3577.231019 (E_RNA) where: Base-Base interactions energy: -2588.073 where: short stacking energy: -1000.180 Base-Backbone interact. energy: -0.925 local terms energy: -988.232778 where: bonds (distance) C4'-P energy: -158.793 bonds (distance) P-C4' energy: -173.167 flat angles C4'-P-C4' energy: -217.352 flat angles P-C4'-P energy: -142.937 tors. eta vs tors. theta energy: -295.984 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: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -3482.826381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.826381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.826381 (E_RNA) where: Base-Base interactions energy: -2532.211 where: short stacking energy: -973.339 Base-Backbone interact. energy: -2.477 local terms energy: -948.138081 where: bonds (distance) C4'-P energy: -169.783 bonds (distance) P-C4' energy: -154.771 flat angles C4'-P-C4' energy: -203.179 flat angles P-C4'-P energy: -123.119 tors. eta vs tors. theta energy: -297.285 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: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -3404.345393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3404.345393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3404.345393 (E_RNA) where: Base-Base interactions energy: -2471.669 where: short stacking energy: -950.756 Base-Backbone interact. energy: -1.143 local terms energy: -931.533654 where: bonds (distance) C4'-P energy: -154.789 bonds (distance) P-C4' energy: -175.650 flat angles C4'-P-C4' energy: -192.352 flat angles P-C4'-P energy: -132.055 tors. eta vs tors. theta energy: -276.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -3208.589630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.589630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.589630 (E_RNA) where: Base-Base interactions energy: -2346.703 where: short stacking energy: -939.443 Base-Backbone interact. energy: 0.783 local terms energy: -862.670195 where: bonds (distance) C4'-P energy: -142.448 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -186.199 flat angles P-C4'-P energy: -115.135 tors. eta vs tors. theta energy: -270.074 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: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -2978.126822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.126822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.126822 (E_RNA) where: Base-Base interactions energy: -2133.627 where: short stacking energy: -841.600 Base-Backbone interact. energy: 1.762 local terms energy: -846.261972 where: bonds (distance) C4'-P energy: -148.717 bonds (distance) P-C4' energy: -161.230 flat angles C4'-P-C4' energy: -184.924 flat angles P-C4'-P energy: -122.572 tors. eta vs tors. theta energy: -228.819 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: 7 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -2709.961135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.961135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.961135 (E_RNA) where: Base-Base interactions energy: -1922.845 where: short stacking energy: -757.426 Base-Backbone interact. energy: -0.836 local terms energy: -786.279583 where: bonds (distance) C4'-P energy: -129.368 bonds (distance) P-C4' energy: -144.774 flat angles C4'-P-C4' energy: -174.442 flat angles P-C4'-P energy: -118.774 tors. eta vs tors. theta energy: -218.921 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: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3928.820353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3928.820353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3928.820353 (E_RNA) where: Base-Base interactions energy: -2858.095 where: short stacking energy: -1104.773 Base-Backbone interact. energy: -1.216 local terms energy: -1069.508754 where: bonds (distance) C4'-P energy: -189.322 bonds (distance) P-C4' energy: -186.631 flat angles C4'-P-C4' energy: -224.519 flat angles P-C4'-P energy: -150.257 tors. eta vs tors. theta energy: -318.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3824.146667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3824.146667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3824.146667 (E_RNA) where: Base-Base interactions energy: -2809.842 where: short stacking energy: -1090.195 Base-Backbone interact. energy: -1.613 local terms energy: -1012.691431 where: bonds (distance) C4'-P energy: -155.059 bonds (distance) P-C4' energy: -194.153 flat angles C4'-P-C4' energy: -200.349 flat angles P-C4'-P energy: -141.981 tors. eta vs tors. theta energy: -321.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -3755.890889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.890889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.890889 (E_RNA) where: Base-Base interactions energy: -2723.831 where: short stacking energy: -1060.939 Base-Backbone interact. energy: -1.693 local terms energy: -1030.366366 where: bonds (distance) C4'-P energy: -174.702 bonds (distance) P-C4' energy: -175.419 flat angles C4'-P-C4' energy: -211.670 flat angles P-C4'-P energy: -157.104 tors. eta vs tors. theta energy: -311.471 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: 404 Temperature: 1.050000 Total energy: -3627.251209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3627.251209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3627.251209 (E_RNA) where: Base-Base interactions energy: -2668.047 where: short stacking energy: -1048.122 Base-Backbone interact. energy: -2.840 local terms energy: -956.363704 where: bonds (distance) C4'-P energy: -149.148 bonds (distance) P-C4' energy: -163.381 flat angles C4'-P-C4' energy: -205.084 flat angles P-C4'-P energy: -136.345 tors. eta vs tors. theta energy: -302.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -3558.559806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.559806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.559806 (E_RNA) where: Base-Base interactions energy: -2617.406 where: short stacking energy: -1005.296 Base-Backbone interact. energy: -1.610 local terms energy: -939.543175 where: bonds (distance) C4'-P energy: -150.978 bonds (distance) P-C4' energy: -149.984 flat angles C4'-P-C4' energy: -214.377 flat angles P-C4'-P energy: -134.572 tors. eta vs tors. theta energy: -289.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -3462.916080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.916080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.916080 (E_RNA) where: Base-Base interactions energy: -2522.669 where: short stacking energy: -962.112 Base-Backbone interact. energy: 1.218 local terms energy: -941.465609 where: bonds (distance) C4'-P energy: -147.539 bonds (distance) P-C4' energy: -182.229 flat angles C4'-P-C4' energy: -194.692 flat angles P-C4'-P energy: -124.911 tors. eta vs tors. theta energy: -292.095 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: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -3362.230865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3362.230865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3362.230865 (E_RNA) where: Base-Base interactions energy: -2452.396 where: short stacking energy: -946.237 Base-Backbone interact. energy: 0.272 local terms energy: -910.107169 where: bonds (distance) C4'-P energy: -148.634 bonds (distance) P-C4' energy: -171.138 flat angles C4'-P-C4' energy: -194.026 flat angles P-C4'-P energy: -123.892 tors. eta vs tors. theta energy: -272.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -3247.691331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.691331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.691331 (E_RNA) where: Base-Base interactions energy: -2374.819 where: short stacking energy: -917.853 Base-Backbone interact. energy: 2.964 local terms energy: -875.836086 where: bonds (distance) C4'-P energy: -166.639 bonds (distance) P-C4' energy: -144.546 flat angles C4'-P-C4' energy: -175.455 flat angles P-C4'-P energy: -123.496 tors. eta vs tors. theta energy: -265.700 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: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -3020.030669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.030669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.030669 (E_RNA) where: Base-Base interactions energy: -2195.830 where: short stacking energy: -856.858 Base-Backbone interact. energy: 5.790 local terms energy: -829.991050 where: bonds (distance) C4'-P energy: -133.992 bonds (distance) P-C4' energy: -148.086 flat angles C4'-P-C4' energy: -185.707 flat angles P-C4'-P energy: -116.902 tors. eta vs tors. theta energy: -245.304 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: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -2752.890876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.890876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.890876 (E_RNA) where: Base-Base interactions energy: -1998.592 where: short stacking energy: -785.548 Base-Backbone interact. energy: -2.692 local terms energy: -751.606640 where: bonds (distance) C4'-P energy: -154.053 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -162.579 flat angles P-C4'-P energy: -100.415 tors. eta vs tors. theta energy: -220.772 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: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3907.356060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3907.356060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3907.356060 (E_RNA) where: Base-Base interactions energy: -2839.806 where: short stacking energy: -1100.898 Base-Backbone interact. energy: -3.792 local terms energy: -1063.757937 where: bonds (distance) C4'-P energy: -184.392 bonds (distance) P-C4' energy: -187.730 flat angles C4'-P-C4' energy: -227.225 flat angles P-C4'-P energy: -144.344 tors. eta vs tors. theta energy: -320.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3816.975070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3816.975070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3816.975070 (E_RNA) where: Base-Base interactions energy: -2766.755 where: short stacking energy: -1072.609 Base-Backbone interact. energy: -2.106 local terms energy: -1048.113813 where: bonds (distance) C4'-P energy: -190.628 bonds (distance) P-C4' energy: -175.561 flat angles C4'-P-C4' energy: -222.004 flat angles P-C4'-P energy: -155.233 tors. eta vs tors. theta energy: -304.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -3735.050027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3735.050027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3735.050027 (E_RNA) where: Base-Base interactions energy: -2707.874 where: short stacking energy: -1058.893 Base-Backbone interact. energy: -1.820 local terms energy: -1025.356231 where: bonds (distance) C4'-P energy: -146.621 bonds (distance) P-C4' energy: -188.488 flat angles C4'-P-C4' energy: -226.150 flat angles P-C4'-P energy: -152.213 tors. eta vs tors. theta energy: -311.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -3648.543266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3648.543266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3648.543266 (E_RNA) where: Base-Base interactions energy: -2651.285 where: short stacking energy: -1026.799 Base-Backbone interact. energy: -3.153 local terms energy: -994.105374 where: bonds (distance) C4'-P energy: -174.679 bonds (distance) P-C4' energy: -167.038 flat angles C4'-P-C4' energy: -219.393 flat angles P-C4'-P energy: -138.369 tors. eta vs tors. theta energy: -294.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -3570.938749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.938749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.938749 (E_RNA) where: Base-Base interactions energy: -2609.304 where: short stacking energy: -996.536 Base-Backbone interact. energy: -2.770 local terms energy: -958.864606 where: bonds (distance) C4'-P energy: -164.920 bonds (distance) P-C4' energy: -143.969 flat angles C4'-P-C4' energy: -219.377 flat angles P-C4'-P energy: -138.051 tors. eta vs tors. theta energy: -292.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -3489.979373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3489.979373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3489.979373 (E_RNA) where: Base-Base interactions energy: -2545.216 where: short stacking energy: -982.483 Base-Backbone interact. energy: 0.447 local terms energy: -945.210530 where: bonds (distance) C4'-P energy: -138.256 bonds (distance) P-C4' energy: -147.916 flat angles C4'-P-C4' energy: -210.176 flat angles P-C4'-P energy: -157.752 tors. eta vs tors. theta energy: -291.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -3401.349034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3401.349034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3401.349034 (E_RNA) where: Base-Base interactions energy: -2481.636 where: short stacking energy: -956.517 Base-Backbone interact. energy: -1.418 local terms energy: -918.294306 where: bonds (distance) C4'-P energy: -139.422 bonds (distance) P-C4' energy: -151.026 flat angles C4'-P-C4' energy: -203.940 flat angles P-C4'-P energy: -144.213 tors. eta vs tors. theta energy: -279.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -3211.017986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.017986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.017986 (E_RNA) where: Base-Base interactions energy: -2318.237 where: short stacking energy: -898.631 Base-Backbone interact. energy: 2.562 local terms energy: -895.342498 where: bonds (distance) C4'-P energy: -153.759 bonds (distance) P-C4' energy: -159.677 flat angles C4'-P-C4' energy: -187.663 flat angles P-C4'-P energy: -128.163 tors. eta vs tors. theta energy: -266.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -3004.662461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.662461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.662461 (E_RNA) where: Base-Base interactions energy: -2179.635 where: short stacking energy: -855.410 Base-Backbone interact. energy: 3.456 local terms energy: -828.483810 where: bonds (distance) C4'-P energy: -152.209 bonds (distance) P-C4' energy: -139.551 flat angles C4'-P-C4' energy: -190.115 flat angles P-C4'-P energy: -113.868 tors. eta vs tors. theta energy: -232.741 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: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -2673.636767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.636767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.636767 (E_RNA) where: Base-Base interactions energy: -1899.347 where: short stacking energy: -742.685 Base-Backbone interact. energy: 6.392 local terms energy: -780.681748 where: bonds (distance) C4'-P energy: -139.037 bonds (distance) P-C4' energy: -163.397 flat angles C4'-P-C4' energy: -175.595 flat angles P-C4'-P energy: -113.275 tors. eta vs tors. theta energy: -189.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3939.337743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3939.337743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3939.337743 (E_RNA) where: Base-Base interactions energy: -2863.882 where: short stacking energy: -1117.393 Base-Backbone interact. energy: -2.352 local terms energy: -1073.103121 where: bonds (distance) C4'-P energy: -191.975 bonds (distance) P-C4' energy: -179.430 flat angles C4'-P-C4' energy: -225.620 flat angles P-C4'-P energy: -155.322 tors. eta vs tors. theta energy: -320.756 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: 3 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3794.071291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3794.071291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3794.071291 (E_RNA) where: Base-Base interactions energy: -2766.789 where: short stacking energy: -1057.467 Base-Backbone interact. energy: 0.587 local terms energy: -1027.869627 where: bonds (distance) C4'-P energy: -176.904 bonds (distance) P-C4' energy: -172.116 flat angles C4'-P-C4' energy: -227.795 flat angles P-C4'-P energy: -152.261 tors. eta vs tors. theta energy: -298.794 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: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -3721.295201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3721.295201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3721.295201 (E_RNA) where: Base-Base interactions energy: -2702.919 where: short stacking energy: -1064.090 Base-Backbone interact. energy: -0.367 local terms energy: -1018.009070 where: bonds (distance) C4'-P energy: -166.072 bonds (distance) P-C4' energy: -176.644 flat angles C4'-P-C4' energy: -214.437 flat angles P-C4'-P energy: -154.416 tors. eta vs tors. theta energy: -306.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -3611.299308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3611.299308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3611.299308 (E_RNA) where: Base-Base interactions energy: -2648.580 where: short stacking energy: -1031.570 Base-Backbone interact. energy: 0.769 local terms energy: -963.488716 where: bonds (distance) C4'-P energy: -168.396 bonds (distance) P-C4' energy: -155.517 flat angles C4'-P-C4' energy: -202.571 flat angles P-C4'-P energy: -132.709 tors. eta vs tors. theta energy: -304.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -3571.167295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3571.167295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3571.167295 (E_RNA) where: Base-Base interactions energy: -2587.343 where: short stacking energy: -1016.506 Base-Backbone interact. energy: 1.258 local terms energy: -985.082271 where: bonds (distance) C4'-P energy: -159.283 bonds (distance) P-C4' energy: -179.373 flat angles C4'-P-C4' energy: -206.078 flat angles P-C4'-P energy: -139.445 tors. eta vs tors. theta energy: -300.903 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: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -3481.021829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.021829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.021829 (E_RNA) where: Base-Base interactions energy: -2536.073 where: short stacking energy: -953.212 Base-Backbone interact. energy: -2.282 local terms energy: -942.666803 where: bonds (distance) C4'-P energy: -166.383 bonds (distance) P-C4' energy: -157.795 flat angles C4'-P-C4' energy: -195.898 flat angles P-C4'-P energy: -144.398 tors. eta vs tors. theta energy: -278.192 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: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -3348.238575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3348.238575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3348.238575 (E_RNA) where: Base-Base interactions energy: -2413.435 where: short stacking energy: -912.211 Base-Backbone interact. energy: -1.567 local terms energy: -933.236118 where: bonds (distance) C4'-P energy: -166.407 bonds (distance) P-C4' energy: -158.425 flat angles C4'-P-C4' energy: -201.558 flat angles P-C4'-P energy: -139.183 tors. eta vs tors. theta energy: -267.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -3238.531616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.531616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.531616 (E_RNA) where: Base-Base interactions energy: -2368.854 where: short stacking energy: -928.209 Base-Backbone interact. energy: -1.943 local terms energy: -867.733771 where: bonds (distance) C4'-P energy: -140.901 bonds (distance) P-C4' energy: -147.980 flat angles C4'-P-C4' energy: -171.818 flat angles P-C4'-P energy: -137.352 tors. eta vs tors. theta energy: -269.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -3097.751915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.751915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.751915 (E_RNA) where: Base-Base interactions energy: -2241.870 where: short stacking energy: -858.908 Base-Backbone interact. energy: 0.429 local terms energy: -856.311665 where: bonds (distance) C4'-P energy: -154.137 bonds (distance) P-C4' energy: -152.941 flat angles C4'-P-C4' energy: -190.688 flat angles P-C4'-P energy: -119.255 tors. eta vs tors. theta energy: -239.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -2639.519501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.519501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.519501 (E_RNA) where: Base-Base interactions energy: -1844.125 where: short stacking energy: -740.945 Base-Backbone interact. energy: -1.509 local terms energy: -793.886340 where: bonds (distance) C4'-P energy: -150.935 bonds (distance) P-C4' energy: -158.879 flat angles C4'-P-C4' energy: -173.388 flat angles P-C4'-P energy: -113.953 tors. eta vs tors. theta energy: -196.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3957.557086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3957.557086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3957.557086 (E_RNA) where: Base-Base interactions energy: -2873.419 where: short stacking energy: -1121.396 Base-Backbone interact. energy: -0.750 local terms energy: -1083.388924 where: bonds (distance) C4'-P energy: -193.930 bonds (distance) P-C4' energy: -191.591 flat angles C4'-P-C4' energy: -219.921 flat angles P-C4'-P energy: -160.099 tors. eta vs tors. theta energy: -317.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3767.739391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3767.739391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3767.739391 (E_RNA) where: Base-Base interactions energy: -2753.147 where: short stacking energy: -1081.234 Base-Backbone interact. energy: -1.046 local terms energy: -1013.546510 where: bonds (distance) C4'-P energy: -181.693 bonds (distance) P-C4' energy: -170.909 flat angles C4'-P-C4' energy: -206.463 flat angles P-C4'-P energy: -149.702 tors. eta vs tors. theta energy: -304.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -3734.509076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.509076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.509076 (E_RNA) where: Base-Base interactions energy: -2771.432 where: short stacking energy: -1065.357 Base-Backbone interact. energy: -3.178 local terms energy: -959.898747 where: bonds (distance) C4'-P energy: -147.013 bonds (distance) P-C4' energy: -165.377 flat angles C4'-P-C4' energy: -201.554 flat angles P-C4'-P energy: -143.632 tors. eta vs tors. theta energy: -302.323 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: 407 Temperature: 1.050000 Total energy: -3641.625039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3641.625039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3641.625039 (E_RNA) where: Base-Base interactions energy: -2670.602 where: short stacking energy: -1053.517 Base-Backbone interact. energy: -1.963 local terms energy: -969.060078 where: bonds (distance) C4'-P energy: -157.259 bonds (distance) P-C4' energy: -174.740 flat angles C4'-P-C4' energy: -197.056 flat angles P-C4'-P energy: -142.829 tors. eta vs tors. theta energy: -297.176 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: 9 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -3558.760734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.760734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.760734 (E_RNA) where: Base-Base interactions energy: -2593.573 where: short stacking energy: -1012.899 Base-Backbone interact. energy: 0.423 local terms energy: -965.610678 where: bonds (distance) C4'-P energy: -169.613 bonds (distance) P-C4' energy: -157.107 flat angles C4'-P-C4' energy: -210.091 flat angles P-C4'-P energy: -129.139 tors. eta vs tors. theta energy: -299.660 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: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -3472.603632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.603632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.603632 (E_RNA) where: Base-Base interactions energy: -2551.245 where: short stacking energy: -988.279 Base-Backbone interact. energy: -1.841 local terms energy: -919.517917 where: bonds (distance) C4'-P energy: -166.989 bonds (distance) P-C4' energy: -123.491 flat angles C4'-P-C4' energy: -198.483 flat angles P-C4'-P energy: -150.113 tors. eta vs tors. theta energy: -280.441 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: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -3342.419485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3342.419485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3342.419485 (E_RNA) where: Base-Base interactions energy: -2451.291 where: short stacking energy: -935.840 Base-Backbone interact. energy: -0.176 local terms energy: -890.952896 where: bonds (distance) C4'-P energy: -161.452 bonds (distance) P-C4' energy: -147.907 flat angles C4'-P-C4' energy: -186.394 flat angles P-C4'-P energy: -123.522 tors. eta vs tors. theta energy: -271.678 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: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -3219.793402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.793402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.793402 (E_RNA) where: Base-Base interactions energy: -2352.407 where: short stacking energy: -895.176 Base-Backbone interact. energy: 1.484 local terms energy: -868.870996 where: bonds (distance) C4'-P energy: -146.614 bonds (distance) P-C4' energy: -141.618 flat angles C4'-P-C4' energy: -197.419 flat angles P-C4'-P energy: -119.980 tors. eta vs tors. theta energy: -263.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -3034.301340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.301340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.301340 (E_RNA) where: Base-Base interactions energy: -2184.218 where: short stacking energy: -874.721 Base-Backbone interact. energy: -3.242 local terms energy: -846.841385 where: bonds (distance) C4'-P energy: -130.151 bonds (distance) P-C4' energy: -144.922 flat angles C4'-P-C4' energy: -191.748 flat angles P-C4'-P energy: -131.082 tors. eta vs tors. theta energy: -248.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -2660.012183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.012183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.012183 (E_RNA) where: Base-Base interactions energy: -1958.415 where: short stacking energy: -775.973 Base-Backbone interact. energy: 5.759 local terms energy: -707.355762 where: bonds (distance) C4'-P energy: -140.384 bonds (distance) P-C4' energy: -117.140 flat angles C4'-P-C4' energy: -164.712 flat angles P-C4'-P energy: -83.961 tors. eta vs tors. theta energy: -201.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3932.109650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3932.109650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3932.109650 (E_RNA) where: Base-Base interactions energy: -2875.194 where: short stacking energy: -1116.876 Base-Backbone interact. energy: -0.856 local terms energy: -1056.059075 where: bonds (distance) C4'-P energy: -181.527 bonds (distance) P-C4' energy: -192.944 flat angles C4'-P-C4' energy: -212.884 flat angles P-C4'-P energy: -149.659 tors. eta vs tors. theta energy: -319.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3817.428946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3817.428946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3817.428946 (E_RNA) where: Base-Base interactions energy: -2800.374 where: short stacking energy: -1106.192 Base-Backbone interact. energy: -0.649 local terms energy: -1016.405665 where: bonds (distance) C4'-P energy: -159.858 bonds (distance) P-C4' energy: -175.027 flat angles C4'-P-C4' energy: -221.186 flat angles P-C4'-P energy: -137.218 tors. eta vs tors. theta energy: -323.115 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: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -3738.900023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3738.900023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3738.900023 (E_RNA) where: Base-Base interactions energy: -2727.187 where: short stacking energy: -1047.580 Base-Backbone interact. energy: -1.780 local terms energy: -1009.932672 where: bonds (distance) C4'-P energy: -166.957 bonds (distance) P-C4' energy: -189.912 flat angles C4'-P-C4' energy: -209.933 flat angles P-C4'-P energy: -149.180 tors. eta vs tors. theta energy: -293.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -3642.055421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3642.055421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3642.055421 (E_RNA) where: Base-Base interactions energy: -2638.602 where: short stacking energy: -1040.683 Base-Backbone interact. energy: -3.105 local terms energy: -1000.348100 where: bonds (distance) C4'-P energy: -177.714 bonds (distance) P-C4' energy: -189.669 flat angles C4'-P-C4' energy: -202.832 flat angles P-C4'-P energy: -130.480 tors. eta vs tors. theta energy: -299.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -3592.139443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3592.139443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3592.139443 (E_RNA) where: Base-Base interactions energy: -2607.969 where: short stacking energy: -1006.463 Base-Backbone interact. energy: 0.642 local terms energy: -984.812547 where: bonds (distance) C4'-P energy: -159.012 bonds (distance) P-C4' energy: -174.664 flat angles C4'-P-C4' energy: -208.890 flat angles P-C4'-P energy: -138.015 tors. eta vs tors. theta energy: -304.232 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: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -3504.502473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3504.502473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3504.502473 (E_RNA) where: Base-Base interactions energy: -2545.661 where: short stacking energy: -980.662 Base-Backbone interact. energy: -3.529 local terms energy: -955.312174 where: bonds (distance) C4'-P energy: -170.968 bonds (distance) P-C4' energy: -158.151 flat angles C4'-P-C4' energy: -200.341 flat angles P-C4'-P energy: -145.222 tors. eta vs tors. theta energy: -280.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -3349.391722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3349.391722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3349.391722 (E_RNA) where: Base-Base interactions energy: -2444.612 where: short stacking energy: -935.061 Base-Backbone interact. energy: -1.004 local terms energy: -903.775638 where: bonds (distance) C4'-P energy: -135.741 bonds (distance) P-C4' energy: -171.048 flat angles C4'-P-C4' energy: -195.954 flat angles P-C4'-P energy: -124.599 tors. eta vs tors. theta energy: -276.433 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: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -3201.767933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.767933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.767933 (E_RNA) where: Base-Base interactions energy: -2299.436 where: short stacking energy: -900.997 Base-Backbone interact. energy: -1.466 local terms energy: -900.865838 where: bonds (distance) C4'-P energy: -141.785 bonds (distance) P-C4' energy: -163.286 flat angles C4'-P-C4' energy: -180.059 flat angles P-C4'-P energy: -140.401 tors. eta vs tors. theta energy: -275.335 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: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -3031.727256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.727256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.727256 (E_RNA) where: Base-Base interactions energy: -2233.472 where: short stacking energy: -881.671 Base-Backbone interact. energy: -0.247 local terms energy: -798.008067 where: bonds (distance) C4'-P energy: -124.580 bonds (distance) P-C4' energy: -144.298 flat angles C4'-P-C4' energy: -177.769 flat angles P-C4'-P energy: -111.768 tors. eta vs tors. theta energy: -239.594 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: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -2720.962061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.962061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.962061 (E_RNA) where: Base-Base interactions energy: -1948.404 where: short stacking energy: -757.373 Base-Backbone interact. energy: -2.029 local terms energy: -770.529285 where: bonds (distance) C4'-P energy: -152.090 bonds (distance) P-C4' energy: -139.735 flat angles C4'-P-C4' energy: -178.524 flat angles P-C4'-P energy: -103.675 tors. eta vs tors. theta energy: -196.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3946.628259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3946.628259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3946.628259 (E_RNA) where: Base-Base interactions energy: -2880.773 where: short stacking energy: -1116.125 Base-Backbone interact. energy: 2.503 local terms energy: -1068.358863 where: bonds (distance) C4'-P energy: -193.139 bonds (distance) P-C4' energy: -182.849 flat angles C4'-P-C4' energy: -229.959 flat angles P-C4'-P energy: -150.695 tors. eta vs tors. theta energy: -311.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3791.739812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3791.739812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3791.739812 (E_RNA) where: Base-Base interactions energy: -2747.561 where: short stacking energy: -1057.842 Base-Backbone interact. energy: 0.256 local terms energy: -1044.434918 where: bonds (distance) C4'-P energy: -184.721 bonds (distance) P-C4' energy: -173.525 flat angles C4'-P-C4' energy: -218.231 flat angles P-C4'-P energy: -158.222 tors. eta vs tors. theta energy: -309.735 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: 409 Temperature: 1.000000 Total energy: -3718.116164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3718.116164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3718.116164 (E_RNA) where: Base-Base interactions energy: -2713.594 where: short stacking energy: -1031.908 Base-Backbone interact. energy: -1.264 local terms energy: -1003.258566 where: bonds (distance) C4'-P energy: -162.899 bonds (distance) P-C4' energy: -169.376 flat angles C4'-P-C4' energy: -219.351 flat angles P-C4'-P energy: -145.601 tors. eta vs tors. theta energy: -306.033 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: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -3624.427759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3624.427759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3624.427759 (E_RNA) where: Base-Base interactions energy: -2619.514 where: short stacking energy: -1011.591 Base-Backbone interact. energy: -0.418 local terms energy: -1004.495095 where: bonds (distance) C4'-P energy: -170.307 bonds (distance) P-C4' energy: -183.005 flat angles C4'-P-C4' energy: -211.332 flat angles P-C4'-P energy: -138.712 tors. eta vs tors. theta energy: -301.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -3571.613239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3571.613239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3571.613239 (E_RNA) where: Base-Base interactions energy: -2614.201 where: short stacking energy: -1027.600 Base-Backbone interact. energy: 0.244 local terms energy: -957.656661 where: bonds (distance) C4'-P energy: -157.907 bonds (distance) P-C4' energy: -159.498 flat angles C4'-P-C4' energy: -213.321 flat angles P-C4'-P energy: -130.211 tors. eta vs tors. theta energy: -296.719 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: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -3473.263920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.263920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.263920 (E_RNA) where: Base-Base interactions energy: -2567.838 where: short stacking energy: -1012.063 Base-Backbone interact. energy: 0.353 local terms energy: -905.778571 where: bonds (distance) C4'-P energy: -149.828 bonds (distance) P-C4' energy: -146.962 flat angles C4'-P-C4' energy: -193.780 flat angles P-C4'-P energy: -122.503 tors. eta vs tors. theta energy: -292.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -3369.262548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.262548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.262548 (E_RNA) where: Base-Base interactions energy: -2482.195 where: short stacking energy: -955.662 Base-Backbone interact. energy: -3.325 local terms energy: -883.742261 where: bonds (distance) C4'-P energy: -153.157 bonds (distance) P-C4' energy: -142.154 flat angles C4'-P-C4' energy: -200.995 flat angles P-C4'-P energy: -116.606 tors. eta vs tors. theta energy: -270.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -3269.874943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.874943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.874943 (E_RNA) where: Base-Base interactions energy: -2397.064 where: short stacking energy: -929.864 Base-Backbone interact. energy: -0.085 local terms energy: -872.726421 where: bonds (distance) C4'-P energy: -143.379 bonds (distance) P-C4' energy: -142.633 flat angles C4'-P-C4' energy: -192.827 flat angles P-C4'-P energy: -117.193 tors. eta vs tors. theta energy: -276.694 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: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -3019.662657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.662657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.662657 (E_RNA) where: Base-Base interactions energy: -2188.404 where: short stacking energy: -871.286 Base-Backbone interact. energy: 4.506 local terms energy: -835.764601 where: bonds (distance) C4'-P energy: -136.406 bonds (distance) P-C4' energy: -141.129 flat angles C4'-P-C4' energy: -184.157 flat angles P-C4'-P energy: -105.931 tors. eta vs tors. theta energy: -268.141 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: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -2686.785944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.785944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.785944 (E_RNA) where: Base-Base interactions energy: -1946.289 where: short stacking energy: -757.812 Base-Backbone interact. energy: 5.514 local terms energy: -746.010758 where: bonds (distance) C4'-P energy: -124.076 bonds (distance) P-C4' energy: -138.551 flat angles C4'-P-C4' energy: -164.312 flat angles P-C4'-P energy: -106.292 tors. eta vs tors. theta energy: -212.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3939.842899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3939.842899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3939.842899 (E_RNA) where: Base-Base interactions energy: -2835.112 where: short stacking energy: -1089.013 Base-Backbone interact. energy: -1.801 local terms energy: -1102.929921 where: bonds (distance) C4'-P energy: -193.167 bonds (distance) P-C4' energy: -208.075 flat angles C4'-P-C4' energy: -229.862 flat angles P-C4'-P energy: -157.203 tors. eta vs tors. theta energy: -314.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3790.523757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3790.523757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3790.523757 (E_RNA) where: Base-Base interactions energy: -2758.559 where: short stacking energy: -1067.563 Base-Backbone interact. energy: 1.945 local terms energy: -1033.909611 where: bonds (distance) C4'-P energy: -179.972 bonds (distance) P-C4' energy: -170.959 flat angles C4'-P-C4' energy: -220.148 flat angles P-C4'-P energy: -145.147 tors. eta vs tors. theta energy: -317.685 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: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -3705.099727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3705.099727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3705.099727 (E_RNA) where: Base-Base interactions energy: -2675.904 where: short stacking energy: -1039.609 Base-Backbone interact. energy: -1.826 local terms energy: -1027.369457 where: bonds (distance) C4'-P energy: -188.798 bonds (distance) P-C4' energy: -179.153 flat angles C4'-P-C4' energy: -216.312 flat angles P-C4'-P energy: -144.482 tors. eta vs tors. theta energy: -298.624 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: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -3630.393964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3630.393964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3630.393964 (E_RNA) where: Base-Base interactions energy: -2642.689 where: short stacking energy: -1015.035 Base-Backbone interact. energy: 1.236 local terms energy: -988.940712 where: bonds (distance) C4'-P energy: -158.373 bonds (distance) P-C4' energy: -175.533 flat angles C4'-P-C4' energy: -208.550 flat angles P-C4'-P energy: -140.708 tors. eta vs tors. theta energy: -305.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -3598.406585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.406585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.406585 (E_RNA) where: Base-Base interactions energy: -2635.499 where: short stacking energy: -1045.293 Base-Backbone interact. energy: 3.385 local terms energy: -966.292142 where: bonds (distance) C4'-P energy: -143.714 bonds (distance) P-C4' energy: -167.258 flat angles C4'-P-C4' energy: -213.464 flat angles P-C4'-P energy: -146.393 tors. eta vs tors. theta energy: -295.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -3502.802484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3502.802484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3502.802484 (E_RNA) where: Base-Base interactions energy: -2558.011 where: short stacking energy: -989.279 Base-Backbone interact. energy: 1.741 local terms energy: -946.531640 where: bonds (distance) C4'-P energy: -165.776 bonds (distance) P-C4' energy: -163.604 flat angles C4'-P-C4' energy: -204.219 flat angles P-C4'-P energy: -115.515 tors. eta vs tors. theta energy: -297.418 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: 410 Temperature: 1.200000 Total energy: -3360.941454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3360.941454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3360.941454 (E_RNA) where: Base-Base interactions energy: -2462.669 where: short stacking energy: -921.076 Base-Backbone interact. energy: 1.994 local terms energy: -900.266866 where: bonds (distance) C4'-P energy: -134.467 bonds (distance) P-C4' energy: -160.338 flat angles C4'-P-C4' energy: -203.353 flat angles P-C4'-P energy: -135.985 tors. eta vs tors. theta energy: -266.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -3238.173076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.173076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.173076 (E_RNA) where: Base-Base interactions energy: -2378.221 where: short stacking energy: -906.879 Base-Backbone interact. energy: 4.254 local terms energy: -864.206105 where: bonds (distance) C4'-P energy: -141.877 bonds (distance) P-C4' energy: -139.945 flat angles C4'-P-C4' energy: -183.988 flat angles P-C4'-P energy: -134.429 tors. eta vs tors. theta energy: -263.967 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: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -3034.854094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.854094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.854094 (E_RNA) where: Base-Base interactions energy: -2199.161 where: short stacking energy: -866.020 Base-Backbone interact. energy: 1.874 local terms energy: -837.566868 where: bonds (distance) C4'-P energy: -140.326 bonds (distance) P-C4' energy: -160.361 flat angles C4'-P-C4' energy: -179.470 flat angles P-C4'-P energy: -114.516 tors. eta vs tors. theta energy: -242.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -2719.343236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.343236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.343236 (E_RNA) where: Base-Base interactions energy: -1965.449 where: short stacking energy: -758.756 Base-Backbone interact. energy: 0.296 local terms energy: -754.190590 where: bonds (distance) C4'-P energy: -153.251 bonds (distance) P-C4' energy: -137.762 flat angles C4'-P-C4' energy: -171.721 flat angles P-C4'-P energy: -91.860 tors. eta vs tors. theta energy: -199.597 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: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3935.108425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3935.108425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3935.108425 (E_RNA) where: Base-Base interactions energy: -2879.228 where: short stacking energy: -1101.865 Base-Backbone interact. energy: -3.974 local terms energy: -1051.906622 where: bonds (distance) C4'-P energy: -180.142 bonds (distance) P-C4' energy: -185.769 flat angles C4'-P-C4' energy: -217.547 flat angles P-C4'-P energy: -155.300 tors. eta vs tors. theta energy: -313.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -3833.120073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3833.120073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3833.120073 (E_RNA) where: Base-Base interactions energy: -2795.749 where: short stacking energy: -1083.505 Base-Backbone interact. energy: -2.273 local terms energy: -1035.098018 where: bonds (distance) C4'-P energy: -163.752 bonds (distance) P-C4' energy: -193.697 flat angles C4'-P-C4' energy: -218.845 flat angles P-C4'-P energy: -145.733 tors. eta vs tors. theta energy: -313.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -3721.607582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3721.607582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3721.607582 (E_RNA) where: Base-Base interactions energy: -2693.768 where: short stacking energy: -1048.605 Base-Backbone interact. energy: -1.259 local terms energy: -1026.580717 where: bonds (distance) C4'-P energy: -178.140 bonds (distance) P-C4' energy: -173.564 flat angles C4'-P-C4' energy: -213.817 flat angles P-C4'-P energy: -157.887 tors. eta vs tors. theta energy: -303.172 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: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -3630.060662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3630.060662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3630.060662 (E_RNA) where: Base-Base interactions energy: -2662.990 where: short stacking energy: -1023.414 Base-Backbone interact. energy: -0.293 local terms energy: -966.777790 where: bonds (distance) C4'-P energy: -158.945 bonds (distance) P-C4' energy: -158.534 flat angles C4'-P-C4' energy: -197.307 flat angles P-C4'-P energy: -155.531 tors. eta vs tors. theta energy: -296.461 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: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -3564.095232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3564.095232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3564.095232 (E_RNA) where: Base-Base interactions energy: -2604.673 where: short stacking energy: -986.412 Base-Backbone interact. energy: -0.336 local terms energy: -959.086946 where: bonds (distance) C4'-P energy: -173.122 bonds (distance) P-C4' energy: -172.179 flat angles C4'-P-C4' energy: -203.019 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -289.203 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: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -3450.833069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.833069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.833069 (E_RNA) where: Base-Base interactions energy: -2511.573 where: short stacking energy: -955.397 Base-Backbone interact. energy: -2.871 local terms energy: -936.389423 where: bonds (distance) C4'-P energy: -163.199 bonds (distance) P-C4' energy: -151.877 flat angles C4'-P-C4' energy: -202.316 flat angles P-C4'-P energy: -134.145 tors. eta vs tors. theta energy: -284.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -3437.457913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.457913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.457913 (E_RNA) where: Base-Base interactions energy: -2505.449 where: short stacking energy: -944.982 Base-Backbone interact. energy: 2.232 local terms energy: -934.241013 where: bonds (distance) C4'-P energy: -169.762 bonds (distance) P-C4' energy: -162.126 flat angles C4'-P-C4' energy: -182.674 flat angles P-C4'-P energy: -133.050 tors. eta vs tors. theta energy: -286.629 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: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -3209.342687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.342687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.342687 (E_RNA) where: Base-Base interactions energy: -2366.636 where: short stacking energy: -914.369 Base-Backbone interact. energy: 3.385 local terms energy: -846.091729 where: bonds (distance) C4'-P energy: -144.465 bonds (distance) P-C4' energy: -141.336 flat angles C4'-P-C4' energy: -167.251 flat angles P-C4'-P energy: -120.505 tors. eta vs tors. theta energy: -272.535 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: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -2997.953226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.953226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.953226 (E_RNA) where: Base-Base interactions energy: -2165.550 where: short stacking energy: -860.056 Base-Backbone interact. energy: 1.218 local terms energy: -833.621938 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -148.764 flat angles C4'-P-C4' energy: -191.884 flat angles P-C4'-P energy: -108.858 tors. eta vs tors. theta energy: -252.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -2739.496865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.496865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.496865 (E_RNA) where: Base-Base interactions energy: -1979.618 where: short stacking energy: -785.284 Base-Backbone interact. energy: 3.724 local terms energy: -763.602838 where: bonds (distance) C4'-P energy: -139.464 bonds (distance) P-C4' energy: -128.789 flat angles C4'-P-C4' energy: -171.386 flat angles P-C4'-P energy: -105.373 tors. eta vs tors. theta energy: -218.590 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: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3918.032571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3918.032571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3918.032571 (E_RNA) where: Base-Base interactions energy: -2868.683 where: short stacking energy: -1104.078 Base-Backbone interact. energy: -0.191 local terms energy: -1049.158802 where: bonds (distance) C4'-P energy: -174.793 bonds (distance) P-C4' energy: -184.972 flat angles C4'-P-C4' energy: -223.746 flat angles P-C4'-P energy: -148.765 tors. eta vs tors. theta energy: -316.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -3830.678072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3830.678072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3830.678072 (E_RNA) where: Base-Base interactions energy: -2795.909 where: short stacking energy: -1075.919 Base-Backbone interact. energy: -1.770 local terms energy: -1032.999100 where: bonds (distance) C4'-P energy: -159.935 bonds (distance) P-C4' energy: -185.576 flat angles C4'-P-C4' energy: -228.165 flat angles P-C4'-P energy: -149.635 tors. eta vs tors. theta energy: -309.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -3730.397230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3730.397230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3730.397230 (E_RNA) where: Base-Base interactions energy: -2741.253 where: short stacking energy: -1039.259 Base-Backbone interact. energy: -3.893 local terms energy: -985.252190 where: bonds (distance) C4'-P energy: -155.779 bonds (distance) P-C4' energy: -184.427 flat angles C4'-P-C4' energy: -209.154 flat angles P-C4'-P energy: -138.915 tors. eta vs tors. theta energy: -296.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -3647.808045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3647.808045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3647.808045 (E_RNA) where: Base-Base interactions energy: -2648.475 where: short stacking energy: -1036.883 Base-Backbone interact. energy: -2.313 local terms energy: -997.020616 where: bonds (distance) C4'-P energy: -163.689 bonds (distance) P-C4' energy: -182.763 flat angles C4'-P-C4' energy: -204.043 flat angles P-C4'-P energy: -139.531 tors. eta vs tors. theta energy: -306.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -3588.304643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3588.304643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3588.304643 (E_RNA) where: Base-Base interactions energy: -2627.391 where: short stacking energy: -1024.040 Base-Backbone interact. energy: -2.462 local terms energy: -958.451338 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -171.559 flat angles C4'-P-C4' energy: -200.328 flat angles P-C4'-P energy: -145.184 tors. eta vs tors. theta energy: -297.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -3434.635396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3434.635396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3434.635396 (E_RNA) where: Base-Base interactions energy: -2490.802 where: short stacking energy: -960.371 Base-Backbone interact. energy: -0.562 local terms energy: -943.271133 where: bonds (distance) C4'-P energy: -168.835 bonds (distance) P-C4' energy: -168.269 flat angles C4'-P-C4' energy: -196.016 flat angles P-C4'-P energy: -123.864 tors. eta vs tors. theta energy: -286.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -3400.797039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3400.797039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3400.797039 (E_RNA) where: Base-Base interactions energy: -2458.772 where: short stacking energy: -939.431 Base-Backbone interact. energy: 1.094 local terms energy: -943.119031 where: bonds (distance) C4'-P energy: -155.701 bonds (distance) P-C4' energy: -174.794 flat angles C4'-P-C4' energy: -202.971 flat angles P-C4'-P energy: -132.457 tors. eta vs tors. theta energy: -277.196 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: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -3203.910337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.910337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.910337 (E_RNA) where: Base-Base interactions energy: -2342.314 where: short stacking energy: -919.933 Base-Backbone interact. energy: -0.062 local terms energy: -861.535011 where: bonds (distance) C4'-P energy: -126.816 bonds (distance) P-C4' energy: -154.895 flat angles C4'-P-C4' energy: -191.650 flat angles P-C4'-P energy: -126.583 tors. eta vs tors. theta energy: -261.591 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: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -3074.704681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.704681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.704681 (E_RNA) where: Base-Base interactions energy: -2281.380 where: short stacking energy: -887.326 Base-Backbone interact. energy: -0.644 local terms energy: -792.681218 where: bonds (distance) C4'-P energy: -108.348 bonds (distance) P-C4' energy: -140.516 flat angles C4'-P-C4' energy: -191.160 flat angles P-C4'-P energy: -107.557 tors. eta vs tors. theta energy: -245.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -2656.133197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.133197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.133197 (E_RNA) where: Base-Base interactions energy: -1899.031 where: short stacking energy: -742.524 Base-Backbone interact. energy: 0.581 local terms energy: -757.682638 where: bonds (distance) C4'-P energy: -130.489 bonds (distance) P-C4' energy: -155.946 flat angles C4'-P-C4' energy: -168.633 flat angles P-C4'-P energy: -94.451 tors. eta vs tors. theta energy: -208.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3914.674299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3914.674299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3914.674299 (E_RNA) where: Base-Base interactions energy: -2845.251 where: short stacking energy: -1083.012 Base-Backbone interact. energy: -6.202 local terms energy: -1063.221529 where: bonds (distance) C4'-P energy: -177.557 bonds (distance) P-C4' energy: -182.898 flat angles C4'-P-C4' energy: -227.121 flat angles P-C4'-P energy: -157.720 tors. eta vs tors. theta energy: -317.925 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: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3822.845944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3822.845944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3822.845944 (E_RNA) where: Base-Base interactions energy: -2810.190 where: short stacking energy: -1092.486 Base-Backbone interact. energy: 0.732 local terms energy: -1013.387130 where: bonds (distance) C4'-P energy: -165.990 bonds (distance) P-C4' energy: -172.392 flat angles C4'-P-C4' energy: -217.517 flat angles P-C4'-P energy: -144.998 tors. eta vs tors. theta energy: -312.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -3721.626398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3721.626398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3721.626398 (E_RNA) where: Base-Base interactions energy: -2730.844 where: short stacking energy: -1054.077 Base-Backbone interact. energy: -1.651 local terms energy: -989.131587 where: bonds (distance) C4'-P energy: -176.051 bonds (distance) P-C4' energy: -165.348 flat angles C4'-P-C4' energy: -195.162 flat angles P-C4'-P energy: -154.321 tors. eta vs tors. theta energy: -298.250 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: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -3632.724801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3632.724801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3632.724801 (E_RNA) where: Base-Base interactions energy: -2670.942 where: short stacking energy: -1037.096 Base-Backbone interact. energy: 2.884 local terms energy: -964.666705 where: bonds (distance) C4'-P energy: -160.312 bonds (distance) P-C4' energy: -166.091 flat angles C4'-P-C4' energy: -205.229 flat angles P-C4'-P energy: -133.163 tors. eta vs tors. theta energy: -299.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -3561.914831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3561.914831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3561.914831 (E_RNA) where: Base-Base interactions energy: -2594.079 where: short stacking energy: -1010.975 Base-Backbone interact. energy: 0.163 local terms energy: -967.999247 where: bonds (distance) C4'-P energy: -165.031 bonds (distance) P-C4' energy: -158.955 flat angles C4'-P-C4' energy: -204.381 flat angles P-C4'-P energy: -138.833 tors. eta vs tors. theta energy: -300.799 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: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -3430.035288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.035288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.035288 (E_RNA) where: Base-Base interactions energy: -2473.924 where: short stacking energy: -969.854 Base-Backbone interact. energy: 1.980 local terms energy: -958.091428 where: bonds (distance) C4'-P energy: -164.269 bonds (distance) P-C4' energy: -166.653 flat angles C4'-P-C4' energy: -205.313 flat angles P-C4'-P energy: -131.378 tors. eta vs tors. theta energy: -290.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -3406.763604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3406.763604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3406.763604 (E_RNA) where: Base-Base interactions energy: -2495.175 where: short stacking energy: -959.607 Base-Backbone interact. energy: -4.056 local terms energy: -907.533042 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -155.430 flat angles C4'-P-C4' energy: -197.844 flat angles P-C4'-P energy: -119.986 tors. eta vs tors. theta energy: -278.116 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: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -3232.205240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.205240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.205240 (E_RNA) where: Base-Base interactions energy: -2363.812 where: short stacking energy: -914.221 Base-Backbone interact. energy: 5.553 local terms energy: -873.946739 where: bonds (distance) C4'-P energy: -139.459 bonds (distance) P-C4' energy: -163.787 flat angles C4'-P-C4' energy: -193.796 flat angles P-C4'-P energy: -113.737 tors. eta vs tors. theta energy: -263.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -3013.362125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.362125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.362125 (E_RNA) where: Base-Base interactions energy: -2169.377 where: short stacking energy: -849.596 Base-Backbone interact. energy: -1.190 local terms energy: -842.795553 where: bonds (distance) C4'-P energy: -141.203 bonds (distance) P-C4' energy: -147.734 flat angles C4'-P-C4' energy: -180.534 flat angles P-C4'-P energy: -118.783 tors. eta vs tors. theta energy: -254.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -2601.870274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.870274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.870274 (E_RNA) where: Base-Base interactions energy: -1893.203 where: short stacking energy: -762.128 Base-Backbone interact. energy: -0.063 local terms energy: -708.604318 where: bonds (distance) C4'-P energy: -121.083 bonds (distance) P-C4' energy: -132.490 flat angles C4'-P-C4' energy: -165.451 flat angles P-C4'-P energy: -81.957 tors. eta vs tors. theta energy: -207.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3917.425325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3917.425325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3917.425325 (E_RNA) where: Base-Base interactions energy: -2867.407 where: short stacking energy: -1090.989 Base-Backbone interact. energy: -3.572 local terms energy: -1046.446267 where: bonds (distance) C4'-P energy: -166.797 bonds (distance) P-C4' energy: -200.788 flat angles C4'-P-C4' energy: -209.497 flat angles P-C4'-P energy: -146.027 tors. eta vs tors. theta energy: -323.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -3816.765813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3816.765813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3816.765813 (E_RNA) where: Base-Base interactions energy: -2769.256 where: short stacking energy: -1093.576 Base-Backbone interact. energy: -0.551 local terms energy: -1046.958926 where: bonds (distance) C4'-P energy: -170.082 bonds (distance) P-C4' energy: -198.480 flat angles C4'-P-C4' energy: -215.807 flat angles P-C4'-P energy: -145.835 tors. eta vs tors. theta energy: -316.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -3717.135180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3717.135180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3717.135180 (E_RNA) where: Base-Base interactions energy: -2717.503 where: short stacking energy: -1047.959 Base-Backbone interact. energy: -1.248 local terms energy: -998.384115 where: bonds (distance) C4'-P energy: -177.976 bonds (distance) P-C4' energy: -154.474 flat angles C4'-P-C4' energy: -218.061 flat angles P-C4'-P energy: -140.783 tors. eta vs tors. theta energy: -307.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -3613.321937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3613.321937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3613.321937 (E_RNA) where: Base-Base interactions energy: -2629.818 where: short stacking energy: -1023.250 Base-Backbone interact. energy: 1.340 local terms energy: -984.843742 where: bonds (distance) C4'-P energy: -170.269 bonds (distance) P-C4' energy: -151.461 flat angles C4'-P-C4' energy: -215.014 flat angles P-C4'-P energy: -144.493 tors. eta vs tors. theta energy: -303.607 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: 8 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -3556.156786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3556.156786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3556.156786 (E_RNA) where: Base-Base interactions energy: -2603.783 where: short stacking energy: -1008.528 Base-Backbone interact. energy: 2.244 local terms energy: -954.618544 where: bonds (distance) C4'-P energy: -154.833 bonds (distance) P-C4' energy: -154.133 flat angles C4'-P-C4' energy: -209.262 flat angles P-C4'-P energy: -147.151 tors. eta vs tors. theta energy: -289.239 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: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -3423.251956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3423.251956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3423.251956 (E_RNA) where: Base-Base interactions energy: -2503.712 where: short stacking energy: -969.190 Base-Backbone interact. energy: 7.226 local terms energy: -926.765462 where: bonds (distance) C4'-P energy: -176.901 bonds (distance) P-C4' energy: -151.638 flat angles C4'-P-C4' energy: -194.466 flat angles P-C4'-P energy: -122.193 tors. eta vs tors. theta energy: -281.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -3387.046079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.046079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.046079 (E_RNA) where: Base-Base interactions energy: -2497.839 where: short stacking energy: -973.497 Base-Backbone interact. energy: -1.310 local terms energy: -887.897078 where: bonds (distance) C4'-P energy: -133.799 bonds (distance) P-C4' energy: -156.532 flat angles C4'-P-C4' energy: -190.848 flat angles P-C4'-P energy: -122.874 tors. eta vs tors. theta energy: -283.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -3209.128508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.128508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.128508 (E_RNA) where: Base-Base interactions energy: -2312.618 where: short stacking energy: -898.533 Base-Backbone interact. energy: 0.109 local terms energy: -896.619465 where: bonds (distance) C4'-P energy: -171.840 bonds (distance) P-C4' energy: -140.557 flat angles C4'-P-C4' energy: -188.879 flat angles P-C4'-P energy: -125.657 tors. eta vs tors. theta energy: -269.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -3081.234262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.234262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.234262 (E_RNA) where: Base-Base interactions energy: -2244.567 where: short stacking energy: -855.148 Base-Backbone interact. energy: 5.802 local terms energy: -842.468579 where: bonds (distance) C4'-P energy: -143.918 bonds (distance) P-C4' energy: -152.680 flat angles C4'-P-C4' energy: -188.115 flat angles P-C4'-P energy: -110.680 tors. eta vs tors. theta energy: -247.076 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: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -2650.409835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.409835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.409835 (E_RNA) where: Base-Base interactions energy: -1931.728 where: short stacking energy: -747.904 Base-Backbone interact. energy: 6.899 local terms energy: -725.580496 where: bonds (distance) C4'-P energy: -141.106 bonds (distance) P-C4' energy: -134.245 flat angles C4'-P-C4' energy: -172.276 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -195.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3938.087426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3938.087426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3938.087426 (E_RNA) where: Base-Base interactions energy: -2869.875 where: short stacking energy: -1098.116 Base-Backbone interact. energy: -2.938 local terms energy: -1065.274582 where: bonds (distance) C4'-P energy: -185.917 bonds (distance) P-C4' energy: -189.696 flat angles C4'-P-C4' energy: -223.969 flat angles P-C4'-P energy: -146.994 tors. eta vs tors. theta energy: -318.699 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: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3824.210675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3824.210675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3824.210675 (E_RNA) where: Base-Base interactions energy: -2802.154 where: short stacking energy: -1087.467 Base-Backbone interact. energy: -2.370 local terms energy: -1019.686759 where: bonds (distance) C4'-P energy: -170.097 bonds (distance) P-C4' energy: -182.156 flat angles C4'-P-C4' energy: -224.407 flat angles P-C4'-P energy: -135.645 tors. eta vs tors. theta energy: -307.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -3717.220922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3717.220922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3717.220922 (E_RNA) where: Base-Base interactions energy: -2689.866 where: short stacking energy: -1028.558 Base-Backbone interact. energy: -1.757 local terms energy: -1025.598376 where: bonds (distance) C4'-P energy: -171.911 bonds (distance) P-C4' energy: -195.402 flat angles C4'-P-C4' energy: -219.419 flat angles P-C4'-P energy: -138.697 tors. eta vs tors. theta energy: -300.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -3609.476614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3609.476614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3609.476614 (E_RNA) where: Base-Base interactions energy: -2621.898 where: short stacking energy: -1033.338 Base-Backbone interact. energy: -3.040 local terms energy: -984.538642 where: bonds (distance) C4'-P energy: -171.529 bonds (distance) P-C4' energy: -165.699 flat angles C4'-P-C4' energy: -203.167 flat angles P-C4'-P energy: -143.036 tors. eta vs tors. theta energy: -301.107 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: 8 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -3542.257186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3542.257186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3542.257186 (E_RNA) where: Base-Base interactions energy: -2577.951 where: short stacking energy: -985.702 Base-Backbone interact. energy: -1.316 local terms energy: -962.990302 where: bonds (distance) C4'-P energy: -159.385 bonds (distance) P-C4' energy: -170.488 flat angles C4'-P-C4' energy: -204.104 flat angles P-C4'-P energy: -141.655 tors. eta vs tors. theta energy: -287.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -3399.044709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3399.044709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3399.044709 (E_RNA) where: Base-Base interactions energy: -2513.021 where: short stacking energy: -970.085 Base-Backbone interact. energy: 2.197 local terms energy: -888.220867 where: bonds (distance) C4'-P energy: -133.944 bonds (distance) P-C4' energy: -179.683 flat angles C4'-P-C4' energy: -179.573 flat angles P-C4'-P energy: -125.428 tors. eta vs tors. theta energy: -269.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -3419.909637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3419.909637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3419.909637 (E_RNA) where: Base-Base interactions energy: -2502.822 where: short stacking energy: -962.321 Base-Backbone interact. energy: -0.546 local terms energy: -916.541372 where: bonds (distance) C4'-P energy: -140.398 bonds (distance) P-C4' energy: -153.490 flat angles C4'-P-C4' energy: -205.839 flat angles P-C4'-P energy: -139.926 tors. eta vs tors. theta energy: -276.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -3228.844236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.844236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.844236 (E_RNA) where: Base-Base interactions energy: -2325.206 where: short stacking energy: -890.894 Base-Backbone interact. energy: -0.966 local terms energy: -902.672289 where: bonds (distance) C4'-P energy: -149.179 bonds (distance) P-C4' energy: -145.163 flat angles C4'-P-C4' energy: -200.252 flat angles P-C4'-P energy: -134.702 tors. eta vs tors. theta energy: -273.376 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: 9, replica: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -3021.622535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.622535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.622535 (E_RNA) where: Base-Base interactions energy: -2182.973 where: short stacking energy: -860.118 Base-Backbone interact. energy: 0.355 local terms energy: -839.004918 where: bonds (distance) C4'-P energy: -140.124 bonds (distance) P-C4' energy: -160.492 flat angles C4'-P-C4' energy: -168.174 flat angles P-C4'-P energy: -125.258 tors. eta vs tors. theta energy: -244.957 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: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -2672.861236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.861236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.861236 (E_RNA) where: Base-Base interactions energy: -1881.777 where: short stacking energy: -708.881 Base-Backbone interact. energy: -2.832 local terms energy: -788.251909 where: bonds (distance) C4'-P energy: -162.018 bonds (distance) P-C4' energy: -127.903 flat angles C4'-P-C4' energy: -173.974 flat angles P-C4'-P energy: -121.715 tors. eta vs tors. theta energy: -202.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3941.796833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3941.796833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3941.796833 (E_RNA) where: Base-Base interactions energy: -2884.653 where: short stacking energy: -1107.893 Base-Backbone interact. energy: -1.512 local terms energy: -1055.631751 where: bonds (distance) C4'-P energy: -180.961 bonds (distance) P-C4' energy: -181.389 flat angles C4'-P-C4' energy: -226.800 flat angles P-C4'-P energy: -142.809 tors. eta vs tors. theta energy: -323.674 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: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -3810.482106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3810.482106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3810.482106 (E_RNA) where: Base-Base interactions energy: -2809.591 where: short stacking energy: -1073.312 Base-Backbone interact. energy: -0.645 local terms energy: -1000.246311 where: bonds (distance) C4'-P energy: -167.165 bonds (distance) P-C4' energy: -178.809 flat angles C4'-P-C4' energy: -205.898 flat angles P-C4'-P energy: -134.241 tors. eta vs tors. theta energy: -314.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -3743.155787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3743.155787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3743.155787 (E_RNA) where: Base-Base interactions energy: -2738.182 where: short stacking energy: -1045.764 Base-Backbone interact. energy: 1.825 local terms energy: -1006.797923 where: bonds (distance) C4'-P energy: -176.936 bonds (distance) P-C4' energy: -172.437 flat angles C4'-P-C4' energy: -211.316 flat angles P-C4'-P energy: -143.882 tors. eta vs tors. theta energy: -302.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -3607.021503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3607.021503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3607.021503 (E_RNA) where: Base-Base interactions energy: -2621.145 where: short stacking energy: -1041.924 Base-Backbone interact. energy: -3.121 local terms energy: -982.755696 where: bonds (distance) C4'-P energy: -150.907 bonds (distance) P-C4' energy: -184.356 flat angles C4'-P-C4' energy: -210.543 flat angles P-C4'-P energy: -136.577 tors. eta vs tors. theta energy: -300.372 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: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -3534.423121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3534.423121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3534.423121 (E_RNA) where: Base-Base interactions energy: -2576.050 where: short stacking energy: -1007.595 Base-Backbone interact. energy: 0.356 local terms energy: -958.728934 where: bonds (distance) C4'-P energy: -144.700 bonds (distance) P-C4' energy: -167.938 flat angles C4'-P-C4' energy: -214.983 flat angles P-C4'-P energy: -134.309 tors. eta vs tors. theta energy: -296.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -3454.454380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.454380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.454380 (E_RNA) where: Base-Base interactions energy: -2532.084 where: short stacking energy: -971.537 Base-Backbone interact. energy: -3.302 local terms energy: -919.068354 where: bonds (distance) C4'-P energy: -164.976 bonds (distance) P-C4' energy: -146.587 flat angles C4'-P-C4' energy: -194.928 flat angles P-C4'-P energy: -114.635 tors. eta vs tors. theta energy: -297.942 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: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -3444.176783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.176783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.176783 (E_RNA) where: Base-Base interactions energy: -2552.007 where: short stacking energy: -980.032 Base-Backbone interact. energy: 0.938 local terms energy: -893.108044 where: bonds (distance) C4'-P energy: -142.025 bonds (distance) P-C4' energy: -141.666 flat angles C4'-P-C4' energy: -196.461 flat angles P-C4'-P energy: -131.439 tors. eta vs tors. theta energy: -281.518 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: 2 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -3228.221135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.221135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.221135 (E_RNA) where: Base-Base interactions energy: -2320.734 where: short stacking energy: -927.813 Base-Backbone interact. energy: 5.319 local terms energy: -912.805973 where: bonds (distance) C4'-P energy: -150.520 bonds (distance) P-C4' energy: -147.141 flat angles C4'-P-C4' energy: -206.040 flat angles P-C4'-P energy: -128.523 tors. eta vs tors. theta energy: -280.582 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: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -3004.776990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.776990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.776990 (E_RNA) where: Base-Base interactions energy: -2190.782 where: short stacking energy: -829.111 Base-Backbone interact. energy: -0.858 local terms energy: -813.137437 where: bonds (distance) C4'-P energy: -117.294 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -198.930 flat angles P-C4'-P energy: -110.559 tors. eta vs tors. theta energy: -238.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -2722.079836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.079836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.079836 (E_RNA) where: Base-Base interactions energy: -1975.725 where: short stacking energy: -780.832 Base-Backbone interact. energy: -3.619 local terms energy: -742.735684 where: bonds (distance) C4'-P energy: -123.971 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -160.911 flat angles P-C4'-P energy: -99.978 tors. eta vs tors. theta energy: -209.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3946.268509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3946.268509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3946.268509 (E_RNA) where: Base-Base interactions energy: -2867.717 where: short stacking energy: -1100.049 Base-Backbone interact. energy: -1.155 local terms energy: -1077.396115 where: bonds (distance) C4'-P energy: -170.285 bonds (distance) P-C4' energy: -192.756 flat angles C4'-P-C4' energy: -233.513 flat angles P-C4'-P energy: -160.610 tors. eta vs tors. theta energy: -320.231 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3863.094534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3863.094534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3863.094534 (E_RNA) where: Base-Base interactions energy: -2804.406 where: short stacking energy: -1073.044 Base-Backbone interact. energy: 0.240 local terms energy: -1058.928692 where: bonds (distance) C4'-P energy: -182.971 bonds (distance) P-C4' energy: -189.866 flat angles C4'-P-C4' energy: -221.261 flat angles P-C4'-P energy: -152.842 tors. eta vs tors. theta energy: -311.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -3730.943640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3730.943640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3730.943640 (E_RNA) where: Base-Base interactions energy: -2753.438 where: short stacking energy: -1059.356 Base-Backbone interact. energy: 1.677 local terms energy: -979.182352 where: bonds (distance) C4'-P energy: -163.360 bonds (distance) P-C4' energy: -158.966 flat angles C4'-P-C4' energy: -204.055 flat angles P-C4'-P energy: -139.957 tors. eta vs tors. theta energy: -312.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -3640.584879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3640.584879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3640.584879 (E_RNA) where: Base-Base interactions energy: -2638.906 where: short stacking energy: -1013.839 Base-Backbone interact. energy: -0.411 local terms energy: -1001.268037 where: bonds (distance) C4'-P energy: -177.197 bonds (distance) P-C4' energy: -166.993 flat angles C4'-P-C4' energy: -211.614 flat angles P-C4'-P energy: -144.093 tors. eta vs tors. theta energy: -301.372 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: 8 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -3578.078361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3578.078361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3578.078361 (E_RNA) where: Base-Base interactions energy: -2627.897 where: short stacking energy: -1005.712 Base-Backbone interact. energy: -1.808 local terms energy: -948.373952 where: bonds (distance) C4'-P energy: -157.135 bonds (distance) P-C4' energy: -157.264 flat angles C4'-P-C4' energy: -204.882 flat angles P-C4'-P energy: -138.473 tors. eta vs tors. theta energy: -290.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -3512.227405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3512.227405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3512.227405 (E_RNA) where: Base-Base interactions energy: -2553.411 where: short stacking energy: -960.387 Base-Backbone interact. energy: -3.387 local terms energy: -955.428502 where: bonds (distance) C4'-P energy: -159.597 bonds (distance) P-C4' energy: -177.599 flat angles C4'-P-C4' energy: -202.754 flat angles P-C4'-P energy: -136.448 tors. eta vs tors. theta energy: -279.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -3397.916884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3397.916884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3397.916884 (E_RNA) where: Base-Base interactions energy: -2493.019 where: short stacking energy: -958.433 Base-Backbone interact. energy: -2.875 local terms energy: -902.023059 where: bonds (distance) C4'-P energy: -144.257 bonds (distance) P-C4' energy: -157.819 flat angles C4'-P-C4' energy: -195.032 flat angles P-C4'-P energy: -124.143 tors. eta vs tors. theta energy: -280.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -3135.231773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.231773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.231773 (E_RNA) where: Base-Base interactions energy: -2311.182 where: short stacking energy: -885.240 Base-Backbone interact. energy: -0.286 local terms energy: -823.763927 where: bonds (distance) C4'-P energy: -112.162 bonds (distance) P-C4' energy: -166.618 flat angles C4'-P-C4' energy: -171.357 flat angles P-C4'-P energy: -118.951 tors. eta vs tors. theta energy: -254.676 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: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -3080.503263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.503263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.503263 (E_RNA) where: Base-Base interactions energy: -2230.319 where: short stacking energy: -873.706 Base-Backbone interact. energy: 1.270 local terms energy: -851.454697 where: bonds (distance) C4'-P energy: -128.040 bonds (distance) P-C4' energy: -161.332 flat angles C4'-P-C4' energy: -188.706 flat angles P-C4'-P energy: -127.849 tors. eta vs tors. theta energy: -245.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -2749.564217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.564217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.564217 (E_RNA) where: Base-Base interactions energy: -1968.042 where: short stacking energy: -770.616 Base-Backbone interact. energy: -0.313 local terms energy: -781.209098 where: bonds (distance) C4'-P energy: -141.135 bonds (distance) P-C4' energy: -149.504 flat angles C4'-P-C4' energy: -177.958 flat angles P-C4'-P energy: -106.548 tors. eta vs tors. theta energy: -206.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3956.976310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3956.976310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3956.976310 (E_RNA) where: Base-Base interactions energy: -2894.173 where: short stacking energy: -1110.328 Base-Backbone interact. energy: 0.841 local terms energy: -1063.643804 where: bonds (distance) C4'-P energy: -193.127 bonds (distance) P-C4' energy: -172.170 flat angles C4'-P-C4' energy: -224.708 flat angles P-C4'-P energy: -163.035 tors. eta vs tors. theta energy: -310.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3823.170525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3823.170525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3823.170525 (E_RNA) where: Base-Base interactions energy: -2785.713 where: short stacking energy: -1087.367 Base-Backbone interact. energy: 5.186 local terms energy: -1042.643321 where: bonds (distance) C4'-P energy: -184.202 bonds (distance) P-C4' energy: -181.185 flat angles C4'-P-C4' energy: -225.789 flat angles P-C4'-P energy: -143.947 tors. eta vs tors. theta energy: -307.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -3700.540795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3700.540795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3700.540795 (E_RNA) where: Base-Base interactions energy: -2680.008 where: short stacking energy: -1056.605 Base-Backbone interact. energy: -1.980 local terms energy: -1018.552730 where: bonds (distance) C4'-P energy: -167.122 bonds (distance) P-C4' energy: -175.058 flat angles C4'-P-C4' energy: -220.099 flat angles P-C4'-P energy: -151.113 tors. eta vs tors. theta energy: -305.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -3653.771257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3653.771257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3653.771257 (E_RNA) where: Base-Base interactions energy: -2653.123 where: short stacking energy: -1016.995 Base-Backbone interact. energy: -3.063 local terms energy: -997.585413 where: bonds (distance) C4'-P energy: -167.237 bonds (distance) P-C4' energy: -189.843 flat angles C4'-P-C4' energy: -214.199 flat angles P-C4'-P energy: -130.988 tors. eta vs tors. theta energy: -295.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -3598.152796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3598.152796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3598.152796 (E_RNA) where: Base-Base interactions energy: -2600.204 where: short stacking energy: -1001.585 Base-Backbone interact. energy: 0.596 local terms energy: -998.544793 where: bonds (distance) C4'-P energy: -170.405 bonds (distance) P-C4' energy: -166.725 flat angles C4'-P-C4' energy: -217.928 flat angles P-C4'-P energy: -146.972 tors. eta vs tors. theta energy: -296.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -3453.363102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3453.363102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3453.363102 (E_RNA) where: Base-Base interactions energy: -2515.253 where: short stacking energy: -960.732 Base-Backbone interact. energy: 0.410 local terms energy: -938.519995 where: bonds (distance) C4'-P energy: -157.426 bonds (distance) P-C4' energy: -169.211 flat angles C4'-P-C4' energy: -203.815 flat angles P-C4'-P energy: -125.247 tors. eta vs tors. theta energy: -282.820 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: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -3429.233816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3429.233816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3429.233816 (E_RNA) where: Base-Base interactions energy: -2478.055 where: short stacking energy: -951.675 Base-Backbone interact. energy: 3.983 local terms energy: -955.161339 where: bonds (distance) C4'-P energy: -153.070 bonds (distance) P-C4' energy: -172.550 flat angles C4'-P-C4' energy: -207.000 flat angles P-C4'-P energy: -132.170 tors. eta vs tors. theta energy: -290.372 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: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -3192.895423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.895423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.895423 (E_RNA) where: Base-Base interactions energy: -2313.588 where: short stacking energy: -884.792 Base-Backbone interact. energy: -1.474 local terms energy: -877.833174 where: bonds (distance) C4'-P energy: -147.200 bonds (distance) P-C4' energy: -152.139 flat angles C4'-P-C4' energy: -189.964 flat angles P-C4'-P energy: -125.548 tors. eta vs tors. theta energy: -262.982 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: 6 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -3155.902361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.902361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.902361 (E_RNA) where: Base-Base interactions energy: -2279.624 where: short stacking energy: -891.532 Base-Backbone interact. energy: 0.885 local terms energy: -877.163777 where: bonds (distance) C4'-P energy: -160.950 bonds (distance) P-C4' energy: -142.766 flat angles C4'-P-C4' energy: -170.791 flat angles P-C4'-P energy: -125.827 tors. eta vs tors. theta energy: -276.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -2744.875668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.875668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.875668 (E_RNA) where: Base-Base interactions energy: -1984.689 where: short stacking energy: -774.583 Base-Backbone interact. energy: 1.219 local terms energy: -761.406264 where: bonds (distance) C4'-P energy: -154.731 bonds (distance) P-C4' energy: -110.657 flat angles C4'-P-C4' energy: -177.268 flat angles P-C4'-P energy: -99.971 tors. eta vs tors. theta energy: -218.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3921.642964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3921.642964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3921.642964 (E_RNA) where: Base-Base interactions energy: -2883.478 where: short stacking energy: -1108.834 Base-Backbone interact. energy: -0.291 local terms energy: -1037.874008 where: bonds (distance) C4'-P energy: -162.017 bonds (distance) P-C4' energy: -191.893 flat angles C4'-P-C4' energy: -223.203 flat angles P-C4'-P energy: -143.988 tors. eta vs tors. theta energy: -316.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3828.520483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3828.520483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3828.520483 (E_RNA) where: Base-Base interactions energy: -2778.555 where: short stacking energy: -1079.564 Base-Backbone interact. energy: -2.555 local terms energy: -1047.410019 where: bonds (distance) C4'-P energy: -191.777 bonds (distance) P-C4' energy: -181.251 flat angles C4'-P-C4' energy: -205.006 flat angles P-C4'-P energy: -159.019 tors. eta vs tors. theta energy: -310.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -3699.257587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3699.257587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3699.257587 (E_RNA) where: Base-Base interactions energy: -2671.790 where: short stacking energy: -1049.025 Base-Backbone interact. energy: 3.127 local terms energy: -1030.594365 where: bonds (distance) C4'-P energy: -186.869 bonds (distance) P-C4' energy: -177.172 flat angles C4'-P-C4' energy: -220.349 flat angles P-C4'-P energy: -135.658 tors. eta vs tors. theta energy: -310.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -3630.569880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3630.569880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3630.569880 (E_RNA) where: Base-Base interactions energy: -2660.422 where: short stacking energy: -1018.692 Base-Backbone interact. energy: 0.703 local terms energy: -970.851372 where: bonds (distance) C4'-P energy: -175.108 bonds (distance) P-C4' energy: -168.453 flat angles C4'-P-C4' energy: -206.546 flat angles P-C4'-P energy: -129.006 tors. eta vs tors. theta energy: -291.737 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: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -3590.643931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3590.643931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3590.643931 (E_RNA) where: Base-Base interactions energy: -2602.597 where: short stacking energy: -1003.453 Base-Backbone interact. energy: 3.092 local terms energy: -991.139469 where: bonds (distance) C4'-P energy: -170.689 bonds (distance) P-C4' energy: -172.478 flat angles C4'-P-C4' energy: -206.948 flat angles P-C4'-P energy: -137.007 tors. eta vs tors. theta energy: -304.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -3442.225939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3442.225939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3442.225939 (E_RNA) where: Base-Base interactions energy: -2526.098 where: short stacking energy: -958.594 Base-Backbone interact. energy: -2.179 local terms energy: -913.948821 where: bonds (distance) C4'-P energy: -150.140 bonds (distance) P-C4' energy: -167.013 flat angles C4'-P-C4' energy: -205.269 flat angles P-C4'-P energy: -111.836 tors. eta vs tors. theta energy: -279.691 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: 10 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -3372.021234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3372.021234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3372.021234 (E_RNA) where: Base-Base interactions energy: -2517.738 where: short stacking energy: -979.026 Base-Backbone interact. energy: 3.421 local terms energy: -857.704258 where: bonds (distance) C4'-P energy: -141.061 bonds (distance) P-C4' energy: -143.040 flat angles C4'-P-C4' energy: -182.595 flat angles P-C4'-P energy: -116.236 tors. eta vs tors. theta energy: -274.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -3225.653790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.653790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.653790 (E_RNA) where: Base-Base interactions energy: -2327.338 where: short stacking energy: -894.345 Base-Backbone interact. energy: -0.942 local terms energy: -897.373550 where: bonds (distance) C4'-P energy: -166.472 bonds (distance) P-C4' energy: -149.720 flat angles C4'-P-C4' energy: -187.036 flat angles P-C4'-P energy: -119.964 tors. eta vs tors. theta energy: -274.181 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: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -3093.065399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.065399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.065399 (E_RNA) where: Base-Base interactions energy: -2255.548 where: short stacking energy: -905.547 Base-Backbone interact. energy: 2.822 local terms energy: -840.340116 where: bonds (distance) C4'-P energy: -126.507 bonds (distance) P-C4' energy: -153.635 flat angles C4'-P-C4' energy: -177.620 flat angles P-C4'-P energy: -129.922 tors. eta vs tors. theta energy: -252.656 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: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -2803.222538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.222538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.222538 (E_RNA) where: Base-Base interactions energy: -2026.951 where: short stacking energy: -795.124 Base-Backbone interact. energy: -1.905 local terms energy: -774.366226 where: bonds (distance) C4'-P energy: -153.069 bonds (distance) P-C4' energy: -120.974 flat angles C4'-P-C4' energy: -183.142 flat angles P-C4'-P energy: -114.782 tors. eta vs tors. theta energy: -202.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3955.441630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3955.441630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3955.441630 (E_RNA) where: Base-Base interactions energy: -2901.787 where: short stacking energy: -1106.048 Base-Backbone interact. energy: -3.320 local terms energy: -1050.335232 where: bonds (distance) C4'-P energy: -190.446 bonds (distance) P-C4' energy: -171.276 flat angles C4'-P-C4' energy: -217.607 flat angles P-C4'-P energy: -144.305 tors. eta vs tors. theta energy: -326.701 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: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3822.276302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3822.276302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3822.276302 (E_RNA) where: Base-Base interactions energy: -2809.509 where: short stacking energy: -1075.359 Base-Backbone interact. energy: 1.236 local terms energy: -1014.003748 where: bonds (distance) C4'-P energy: -179.355 bonds (distance) P-C4' energy: -181.512 flat angles C4'-P-C4' energy: -214.267 flat angles P-C4'-P energy: -130.558 tors. eta vs tors. theta energy: -308.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -3726.287807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3726.287807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3726.287807 (E_RNA) where: Base-Base interactions energy: -2698.545 where: short stacking energy: -1051.043 Base-Backbone interact. energy: -1.096 local terms energy: -1026.646959 where: bonds (distance) C4'-P energy: -180.701 bonds (distance) P-C4' energy: -178.254 flat angles C4'-P-C4' energy: -216.438 flat angles P-C4'-P energy: -145.914 tors. eta vs tors. theta energy: -305.340 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -3635.313166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3635.313166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3635.313166 (E_RNA) where: Base-Base interactions energy: -2659.804 where: short stacking energy: -1035.583 Base-Backbone interact. energy: -2.947 local terms energy: -972.561803 where: bonds (distance) C4'-P energy: -164.144 bonds (distance) P-C4' energy: -172.879 flat angles C4'-P-C4' energy: -208.029 flat angles P-C4'-P energy: -129.477 tors. eta vs tors. theta energy: -298.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -3582.683303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.683303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.683303 (E_RNA) where: Base-Base interactions energy: -2620.488 where: short stacking energy: -998.925 Base-Backbone interact. energy: 1.184 local terms energy: -963.378572 where: bonds (distance) C4'-P energy: -151.617 bonds (distance) P-C4' energy: -156.395 flat angles C4'-P-C4' energy: -215.571 flat angles P-C4'-P energy: -150.204 tors. eta vs tors. theta energy: -289.591 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: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -3469.089758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.089758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.089758 (E_RNA) where: Base-Base interactions energy: -2515.079 where: short stacking energy: -979.172 Base-Backbone interact. energy: -0.141 local terms energy: -953.869843 where: bonds (distance) C4'-P energy: -156.480 bonds (distance) P-C4' energy: -173.696 flat angles C4'-P-C4' energy: -202.016 flat angles P-C4'-P energy: -131.964 tors. eta vs tors. theta energy: -289.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -3313.874643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.874643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.874643 (E_RNA) where: Base-Base interactions energy: -2440.108 where: short stacking energy: -919.989 Base-Backbone interact. energy: -2.077 local terms energy: -871.689050 where: bonds (distance) C4'-P energy: -135.319 bonds (distance) P-C4' energy: -164.177 flat angles C4'-P-C4' energy: -185.589 flat angles P-C4'-P energy: -128.825 tors. eta vs tors. theta energy: -257.779 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: 2 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -3206.704757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.704757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.704757 (E_RNA) where: Base-Base interactions energy: -2345.809 where: short stacking energy: -905.161 Base-Backbone interact. energy: 0.011 local terms energy: -860.906268 where: bonds (distance) C4'-P energy: -145.195 bonds (distance) P-C4' energy: -153.524 flat angles C4'-P-C4' energy: -180.781 flat angles P-C4'-P energy: -116.869 tors. eta vs tors. theta energy: -264.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -3137.347472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.347472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.347472 (E_RNA) where: Base-Base interactions energy: -2282.285 where: short stacking energy: -882.130 Base-Backbone interact. energy: 0.044 local terms energy: -855.107100 where: bonds (distance) C4'-P energy: -149.098 bonds (distance) P-C4' energy: -150.634 flat angles C4'-P-C4' energy: -179.140 flat angles P-C4'-P energy: -120.654 tors. eta vs tors. theta energy: -255.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -2760.705461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.705461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.705461 (E_RNA) where: Base-Base interactions energy: -1955.361 where: short stacking energy: -777.530 Base-Backbone interact. energy: 4.858 local terms energy: -810.202700 where: bonds (distance) C4'-P energy: -146.730 bonds (distance) P-C4' energy: -160.090 flat angles C4'-P-C4' energy: -170.797 flat angles P-C4'-P energy: -108.717 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: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3949.024436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3949.024436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3949.024436 (E_RNA) where: Base-Base interactions energy: -2885.052 where: short stacking energy: -1103.314 Base-Backbone interact. energy: -1.953 local terms energy: -1062.019388 where: bonds (distance) C4'-P energy: -194.453 bonds (distance) P-C4' energy: -180.905 flat angles C4'-P-C4' energy: -207.971 flat angles P-C4'-P energy: -155.758 tors. eta vs tors. theta energy: -322.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -3816.609653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3816.609653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3816.609653 (E_RNA) where: Base-Base interactions energy: -2774.398 where: short stacking energy: -1070.274 Base-Backbone interact. energy: -0.903 local terms energy: -1041.309071 where: bonds (distance) C4'-P energy: -174.474 bonds (distance) P-C4' energy: -181.788 flat angles C4'-P-C4' energy: -229.588 flat angles P-C4'-P energy: -143.272 tors. eta vs tors. theta energy: -312.187 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: 3 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -3726.827549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3726.827549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3726.827549 (E_RNA) where: Base-Base interactions energy: -2718.116 where: short stacking energy: -1042.853 Base-Backbone interact. energy: -4.585 local terms energy: -1004.126973 where: bonds (distance) C4'-P energy: -161.671 bonds (distance) P-C4' energy: -197.100 flat angles C4'-P-C4' energy: -208.063 flat angles P-C4'-P energy: -137.853 tors. eta vs tors. theta energy: -299.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -3629.457217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3629.457217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3629.457217 (E_RNA) where: Base-Base interactions energy: -2636.322 where: short stacking energy: -1044.865 Base-Backbone interact. energy: -1.302 local terms energy: -991.832797 where: bonds (distance) C4'-P energy: -179.013 bonds (distance) P-C4' energy: -161.505 flat angles C4'-P-C4' energy: -206.438 flat angles P-C4'-P energy: -140.389 tors. eta vs tors. theta energy: -304.487 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: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -3533.992128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3533.992128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3533.992128 (E_RNA) where: Base-Base interactions energy: -2560.603 where: short stacking energy: -977.574 Base-Backbone interact. energy: 0.491 local terms energy: -973.880139 where: bonds (distance) C4'-P energy: -160.039 bonds (distance) P-C4' energy: -171.823 flat angles C4'-P-C4' energy: -215.040 flat angles P-C4'-P energy: -141.642 tors. eta vs tors. theta energy: -285.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -3480.779579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3480.779579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3480.779579 (E_RNA) where: Base-Base interactions energy: -2528.721 where: short stacking energy: -972.456 Base-Backbone interact. energy: -1.890 local terms energy: -950.168042 where: bonds (distance) C4'-P energy: -159.221 bonds (distance) P-C4' energy: -158.884 flat angles C4'-P-C4' energy: -206.967 flat angles P-C4'-P energy: -135.996 tors. eta vs tors. theta energy: -289.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -3322.606026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3322.606026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3322.606026 (E_RNA) where: Base-Base interactions energy: -2460.181 where: short stacking energy: -921.528 Base-Backbone interact. energy: -2.348 local terms energy: -860.077117 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -126.486 flat angles C4'-P-C4' energy: -201.622 flat angles P-C4'-P energy: -115.892 tors. eta vs tors. theta energy: -263.803 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: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -3236.406561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.406561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.406561 (E_RNA) where: Base-Base interactions energy: -2356.883 where: short stacking energy: -900.040 Base-Backbone interact. energy: -1.213 local terms energy: -878.310936 where: bonds (distance) C4'-P energy: -135.852 bonds (distance) P-C4' energy: -171.382 flat angles C4'-P-C4' energy: -186.346 flat angles P-C4'-P energy: -117.571 tors. eta vs tors. theta energy: -267.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -3076.995060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.995060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.995060 (E_RNA) where: Base-Base interactions energy: -2220.439 where: short stacking energy: -880.382 Base-Backbone interact. energy: -1.559 local terms energy: -854.997525 where: bonds (distance) C4'-P energy: -137.764 bonds (distance) P-C4' energy: -141.155 flat angles C4'-P-C4' energy: -192.860 flat angles P-C4'-P energy: -118.334 tors. eta vs tors. theta energy: -264.884 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: 10, replica: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -2770.170353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.170353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.170353 (E_RNA) where: Base-Base interactions energy: -2018.094 where: short stacking energy: -801.177 Base-Backbone interact. energy: -0.830 local terms energy: -751.246002 where: bonds (distance) C4'-P energy: -133.920 bonds (distance) P-C4' energy: -129.889 flat angles C4'-P-C4' energy: -158.077 flat angles P-C4'-P energy: -103.234 tors. eta vs tors. theta energy: -226.127 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: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3937.221182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3937.221182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3937.221182 (E_RNA) where: Base-Base interactions energy: -2889.831 where: short stacking energy: -1105.342 Base-Backbone interact. energy: -3.743 local terms energy: -1043.646914 where: bonds (distance) C4'-P energy: -181.627 bonds (distance) P-C4' energy: -182.291 flat angles C4'-P-C4' energy: -224.213 flat angles P-C4'-P energy: -143.698 tors. eta vs tors. theta energy: -311.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3847.129582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3847.129582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3847.129582 (E_RNA) where: Base-Base interactions energy: -2822.824 where: short stacking energy: -1084.561 Base-Backbone interact. energy: 5.954 local terms energy: -1030.259026 where: bonds (distance) C4'-P energy: -176.159 bonds (distance) P-C4' energy: -189.058 flat angles C4'-P-C4' energy: -213.823 flat angles P-C4'-P energy: -152.832 tors. eta vs tors. theta energy: -298.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -3723.754022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3723.754022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3723.754022 (E_RNA) where: Base-Base interactions energy: -2703.339 where: short stacking energy: -1039.442 Base-Backbone interact. energy: -5.128 local terms energy: -1015.287037 where: bonds (distance) C4'-P energy: -179.148 bonds (distance) P-C4' energy: -172.977 flat angles C4'-P-C4' energy: -206.894 flat angles P-C4'-P energy: -148.984 tors. eta vs tors. theta energy: -307.284 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: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -3682.972989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3682.972989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3682.972989 (E_RNA) where: Base-Base interactions energy: -2675.434 where: short stacking energy: -1038.211 Base-Backbone interact. energy: -4.935 local terms energy: -1002.603859 where: bonds (distance) C4'-P energy: -178.465 bonds (distance) P-C4' energy: -166.235 flat angles C4'-P-C4' energy: -208.250 flat angles P-C4'-P energy: -143.124 tors. eta vs tors. theta energy: -306.530 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: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -3571.576930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3571.576930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3571.576930 (E_RNA) where: Base-Base interactions energy: -2612.795 where: short stacking energy: -992.909 Base-Backbone interact. energy: 1.923 local terms energy: -960.705479 where: bonds (distance) C4'-P energy: -164.150 bonds (distance) P-C4' energy: -163.433 flat angles C4'-P-C4' energy: -209.063 flat angles P-C4'-P energy: -133.619 tors. eta vs tors. theta energy: -290.441 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: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -3491.108338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3491.108338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3491.108338 (E_RNA) where: Base-Base interactions energy: -2564.202 where: short stacking energy: -975.008 Base-Backbone interact. energy: 0.647 local terms energy: -927.554085 where: bonds (distance) C4'-P energy: -155.746 bonds (distance) P-C4' energy: -148.196 flat angles C4'-P-C4' energy: -194.435 flat angles P-C4'-P energy: -137.467 tors. eta vs tors. theta energy: -291.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -3340.409963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3340.409963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3340.409963 (E_RNA) where: Base-Base interactions energy: -2421.154 where: short stacking energy: -947.932 Base-Backbone interact. energy: 2.702 local terms energy: -921.957737 where: bonds (distance) C4'-P energy: -159.761 bonds (distance) P-C4' energy: -139.517 flat angles C4'-P-C4' energy: -209.245 flat angles P-C4'-P energy: -143.568 tors. eta vs tors. theta energy: -269.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -3190.654008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.654008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.654008 (E_RNA) where: Base-Base interactions energy: -2307.652 where: short stacking energy: -896.951 Base-Backbone interact. energy: -1.743 local terms energy: -881.258760 where: bonds (distance) C4'-P energy: -135.753 bonds (distance) P-C4' energy: -150.523 flat angles C4'-P-C4' energy: -205.394 flat angles P-C4'-P energy: -125.959 tors. eta vs tors. theta energy: -263.630 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: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -3019.910124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.910124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.910124 (E_RNA) where: Base-Base interactions energy: -2202.578 where: short stacking energy: -865.352 Base-Backbone interact. energy: -3.649 local terms energy: -813.682865 where: bonds (distance) C4'-P energy: -128.015 bonds (distance) P-C4' energy: -155.512 flat angles C4'-P-C4' energy: -187.246 flat angles P-C4'-P energy: -94.799 tors. eta vs tors. theta energy: -248.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -2762.649867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.649867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.649867 (E_RNA) where: Base-Base interactions energy: -1997.320 where: short stacking energy: -776.236 Base-Backbone interact. energy: 3.470 local terms energy: -768.799972 where: bonds (distance) C4'-P energy: -138.995 bonds (distance) P-C4' energy: -131.941 flat angles C4'-P-C4' energy: -176.226 flat angles P-C4'-P energy: -106.767 tors. eta vs tors. theta energy: -214.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3932.421624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3932.421624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3932.421624 (E_RNA) where: Base-Base interactions energy: -2848.046 where: short stacking energy: -1081.320 Base-Backbone interact. energy: -5.193 local terms energy: -1079.183375 where: bonds (distance) C4'-P energy: -207.281 bonds (distance) P-C4' energy: -208.372 flat angles C4'-P-C4' energy: -214.430 flat angles P-C4'-P energy: -132.941 tors. eta vs tors. theta energy: -316.160 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: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -3842.052666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3842.052666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3842.052666 (E_RNA) where: Base-Base interactions energy: -2813.383 where: short stacking energy: -1074.171 Base-Backbone interact. energy: 2.599 local terms energy: -1031.268748 where: bonds (distance) C4'-P energy: -174.684 bonds (distance) P-C4' energy: -182.409 flat angles C4'-P-C4' energy: -212.734 flat angles P-C4'-P energy: -152.625 tors. eta vs tors. theta energy: -308.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -3755.001062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3755.001062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3755.001062 (E_RNA) where: Base-Base interactions energy: -2744.216 where: short stacking energy: -1040.577 Base-Backbone interact. energy: -0.911 local terms energy: -1009.874238 where: bonds (distance) C4'-P energy: -184.923 bonds (distance) P-C4' energy: -164.670 flat angles C4'-P-C4' energy: -215.931 flat angles P-C4'-P energy: -143.146 tors. eta vs tors. theta energy: -301.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -3614.335107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.335107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.335107 (E_RNA) where: Base-Base interactions energy: -2667.856 where: short stacking energy: -1041.952 Base-Backbone interact. energy: -0.150 local terms energy: -946.328758 where: bonds (distance) C4'-P energy: -157.912 bonds (distance) P-C4' energy: -163.726 flat angles C4'-P-C4' energy: -185.657 flat angles P-C4'-P energy: -130.853 tors. eta vs tors. theta energy: -308.181 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: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -3538.564798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3538.564798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3538.564798 (E_RNA) where: Base-Base interactions energy: -2569.480 where: short stacking energy: -1007.667 Base-Backbone interact. energy: -1.390 local terms energy: -967.695310 where: bonds (distance) C4'-P energy: -163.164 bonds (distance) P-C4' energy: -160.749 flat angles C4'-P-C4' energy: -215.476 flat angles P-C4'-P energy: -132.510 tors. eta vs tors. theta energy: -295.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -3501.236701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3501.236701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3501.236701 (E_RNA) where: Base-Base interactions energy: -2556.648 where: short stacking energy: -981.520 Base-Backbone interact. energy: -2.459 local terms energy: -942.130232 where: bonds (distance) C4'-P energy: -175.375 bonds (distance) P-C4' energy: -150.008 flat angles C4'-P-C4' energy: -209.338 flat angles P-C4'-P energy: -117.552 tors. eta vs tors. theta energy: -289.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -3394.378971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3394.378971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3394.378971 (E_RNA) where: Base-Base interactions energy: -2483.215 where: short stacking energy: -949.955 Base-Backbone interact. energy: -1.848 local terms energy: -909.316422 where: bonds (distance) C4'-P energy: -148.141 bonds (distance) P-C4' energy: -168.361 flat angles C4'-P-C4' energy: -201.638 flat angles P-C4'-P energy: -121.010 tors. eta vs tors. theta energy: -270.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -3281.529106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.529106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.529106 (E_RNA) where: Base-Base interactions energy: -2395.095 where: short stacking energy: -943.734 Base-Backbone interact. energy: 1.514 local terms energy: -887.948826 where: bonds (distance) C4'-P energy: -136.165 bonds (distance) P-C4' energy: -148.769 flat angles C4'-P-C4' energy: -200.261 flat angles P-C4'-P energy: -133.101 tors. eta vs tors. theta energy: -269.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -2944.157985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.157985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.157985 (E_RNA) where: Base-Base interactions energy: -2111.406 where: short stacking energy: -817.616 Base-Backbone interact. energy: -1.061 local terms energy: -831.690897 where: bonds (distance) C4'-P energy: -129.835 bonds (distance) P-C4' energy: -149.743 flat angles C4'-P-C4' energy: -192.333 flat angles P-C4'-P energy: -131.418 tors. eta vs tors. theta energy: -228.361 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: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -2769.042980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.042980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.042980 (E_RNA) where: Base-Base interactions energy: -2018.402 where: short stacking energy: -800.262 Base-Backbone interact. energy: -2.253 local terms energy: -748.387317 where: bonds (distance) C4'-P energy: -132.749 bonds (distance) P-C4' energy: -145.429 flat angles C4'-P-C4' energy: -164.989 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -220.281 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: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3904.364190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3904.364190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3904.364190 (E_RNA) where: Base-Base interactions energy: -2824.001 where: short stacking energy: -1080.072 Base-Backbone interact. energy: -0.526 local terms energy: -1079.837464 where: bonds (distance) C4'-P energy: -184.190 bonds (distance) P-C4' energy: -193.256 flat angles C4'-P-C4' energy: -230.304 flat angles P-C4'-P energy: -162.231 tors. eta vs tors. theta energy: -309.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3824.660447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3824.660447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3824.660447 (E_RNA) where: Base-Base interactions energy: -2797.360 where: short stacking energy: -1069.939 Base-Backbone interact. energy: -1.878 local terms energy: -1025.423396 where: bonds (distance) C4'-P energy: -177.031 bonds (distance) P-C4' energy: -186.739 flat angles C4'-P-C4' energy: -215.454 flat angles P-C4'-P energy: -140.580 tors. eta vs tors. theta energy: -305.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -3735.377571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3735.377571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3735.377571 (E_RNA) where: Base-Base interactions energy: -2721.106 where: short stacking energy: -1030.791 Base-Backbone interact. energy: -0.638 local terms energy: -1013.633694 where: bonds (distance) C4'-P energy: -180.903 bonds (distance) P-C4' energy: -178.279 flat angles C4'-P-C4' energy: -214.392 flat angles P-C4'-P energy: -134.024 tors. eta vs tors. theta energy: -306.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -3612.546176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3612.546176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3612.546176 (E_RNA) where: Base-Base interactions energy: -2653.781 where: short stacking energy: -1013.350 Base-Backbone interact. energy: -3.099 local terms energy: -955.666403 where: bonds (distance) C4'-P energy: -162.206 bonds (distance) P-C4' energy: -163.300 flat angles C4'-P-C4' energy: -199.485 flat angles P-C4'-P energy: -141.709 tors. eta vs tors. theta energy: -288.967 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: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -3555.902823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3555.902823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3555.902823 (E_RNA) where: Base-Base interactions energy: -2616.391 where: short stacking energy: -998.742 Base-Backbone interact. energy: 0.520 local terms energy: -940.032004 where: bonds (distance) C4'-P energy: -163.708 bonds (distance) P-C4' energy: -155.263 flat angles C4'-P-C4' energy: -200.903 flat angles P-C4'-P energy: -123.750 tors. eta vs tors. theta energy: -296.408 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: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -3468.153428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.153428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.153428 (E_RNA) where: Base-Base interactions energy: -2545.328 where: short stacking energy: -981.653 Base-Backbone interact. energy: -2.649 local terms energy: -920.175767 where: bonds (distance) C4'-P energy: -157.589 bonds (distance) P-C4' energy: -146.961 flat angles C4'-P-C4' energy: -199.079 flat angles P-C4'-P energy: -123.519 tors. eta vs tors. theta energy: -293.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -3270.069101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.069101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.069101 (E_RNA) where: Base-Base interactions energy: -2379.318 where: short stacking energy: -927.081 Base-Backbone interact. energy: -0.131 local terms energy: -890.620282 where: bonds (distance) C4'-P energy: -166.508 bonds (distance) P-C4' energy: -143.417 flat angles C4'-P-C4' energy: -197.935 flat angles P-C4'-P energy: -123.871 tors. eta vs tors. theta energy: -258.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -3285.006264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.006264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.006264 (E_RNA) where: Base-Base interactions energy: -2420.294 where: short stacking energy: -916.381 Base-Backbone interact. energy: -0.424 local terms energy: -864.287786 where: bonds (distance) C4'-P energy: -138.469 bonds (distance) P-C4' energy: -148.299 flat angles C4'-P-C4' energy: -198.366 flat angles P-C4'-P energy: -110.009 tors. eta vs tors. theta energy: -269.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -2951.190403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.190403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.190403 (E_RNA) where: Base-Base interactions energy: -2124.322 where: short stacking energy: -809.097 Base-Backbone interact. energy: -0.842 local terms energy: -826.026219 where: bonds (distance) C4'-P energy: -133.553 bonds (distance) P-C4' energy: -152.395 flat angles C4'-P-C4' energy: -184.246 flat angles P-C4'-P energy: -119.148 tors. eta vs tors. theta energy: -236.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -2860.378589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.378589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.378589 (E_RNA) where: Base-Base interactions energy: -2094.771 where: short stacking energy: -814.734 Base-Backbone interact. energy: 2.445 local terms energy: -768.053148 where: bonds (distance) C4'-P energy: -129.438 bonds (distance) P-C4' energy: -146.305 flat angles C4'-P-C4' energy: -159.905 flat angles P-C4'-P energy: -102.443 tors. eta vs tors. theta energy: -229.962 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: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3902.306276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3902.306276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3902.306276 (E_RNA) where: Base-Base interactions energy: -2849.461 where: short stacking energy: -1100.317 Base-Backbone interact. energy: 0.886 local terms energy: -1053.730620 where: bonds (distance) C4'-P energy: -184.776 bonds (distance) P-C4' energy: -186.725 flat angles C4'-P-C4' energy: -218.105 flat angles P-C4'-P energy: -151.708 tors. eta vs tors. theta energy: -312.417 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: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3813.623523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3813.623523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3813.623523 (E_RNA) where: Base-Base interactions energy: -2805.017 where: short stacking energy: -1058.498 Base-Backbone interact. energy: 2.838 local terms energy: -1011.444920 where: bonds (distance) C4'-P energy: -168.558 bonds (distance) P-C4' energy: -167.310 flat angles C4'-P-C4' energy: -222.970 flat angles P-C4'-P energy: -154.983 tors. eta vs tors. theta energy: -297.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -3720.790834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3720.790834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3720.790834 (E_RNA) where: Base-Base interactions energy: -2701.489 where: short stacking energy: -1044.778 Base-Backbone interact. energy: -1.302 local terms energy: -1018.000305 where: bonds (distance) C4'-P energy: -174.337 bonds (distance) P-C4' energy: -162.829 flat angles C4'-P-C4' energy: -229.627 flat angles P-C4'-P energy: -143.612 tors. eta vs tors. theta energy: -307.596 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: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -3602.981255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3602.981255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3602.981255 (E_RNA) where: Base-Base interactions energy: -2654.536 where: short stacking energy: -1032.002 Base-Backbone interact. energy: -2.799 local terms energy: -945.645561 where: bonds (distance) C4'-P energy: -148.109 bonds (distance) P-C4' energy: -148.374 flat angles C4'-P-C4' energy: -214.753 flat angles P-C4'-P energy: -144.169 tors. eta vs tors. theta energy: -290.240 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: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -3586.214925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3586.214925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3586.214925 (E_RNA) where: Base-Base interactions energy: -2627.507 where: short stacking energy: -997.459 Base-Backbone interact. energy: -2.056 local terms energy: -956.652072 where: bonds (distance) C4'-P energy: -159.826 bonds (distance) P-C4' energy: -154.466 flat angles C4'-P-C4' energy: -206.458 flat angles P-C4'-P energy: -129.780 tors. eta vs tors. theta energy: -306.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -3470.894375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3470.894375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3470.894375 (E_RNA) where: Base-Base interactions energy: -2520.084 where: short stacking energy: -983.222 Base-Backbone interact. energy: 3.129 local terms energy: -953.939719 where: bonds (distance) C4'-P energy: -163.670 bonds (distance) P-C4' energy: -166.004 flat angles C4'-P-C4' energy: -200.676 flat angles P-C4'-P energy: -139.563 tors. eta vs tors. theta energy: -284.027 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: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -3332.383188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.383188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.383188 (E_RNA) where: Base-Base interactions energy: -2402.881 where: short stacking energy: -944.779 Base-Backbone interact. energy: 0.350 local terms energy: -929.852704 where: bonds (distance) C4'-P energy: -166.545 bonds (distance) P-C4' energy: -154.143 flat angles C4'-P-C4' energy: -194.874 flat angles P-C4'-P energy: -133.829 tors. eta vs tors. theta energy: -280.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -3316.891939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3316.891939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3316.891939 (E_RNA) where: Base-Base interactions energy: -2405.992 where: short stacking energy: -932.555 Base-Backbone interact. energy: 1.583 local terms energy: -912.483151 where: bonds (distance) C4'-P energy: -138.632 bonds (distance) P-C4' energy: -162.633 flat angles C4'-P-C4' energy: -207.658 flat angles P-C4'-P energy: -138.002 tors. eta vs tors. theta energy: -265.559 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: 425 Temperature: 1.300000 Total energy: -2998.224088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.224088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.224088 (E_RNA) where: Base-Base interactions energy: -2180.324 where: short stacking energy: -866.742 Base-Backbone interact. energy: 0.040 local terms energy: -817.939756 where: bonds (distance) C4'-P energy: -129.299 bonds (distance) P-C4' energy: -159.855 flat angles C4'-P-C4' energy: -175.190 flat angles P-C4'-P energy: -103.709 tors. eta vs tors. theta energy: -249.887 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: 10, replica: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -2817.526949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.526949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.526949 (E_RNA) where: Base-Base interactions energy: -2036.744 where: short stacking energy: -797.131 Base-Backbone interact. energy: -3.155 local terms energy: -777.627941 where: bonds (distance) C4'-P energy: -150.883 bonds (distance) P-C4' energy: -122.066 flat angles C4'-P-C4' energy: -167.776 flat angles P-C4'-P energy: -97.587 tors. eta vs tors. theta energy: -239.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3909.013243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3909.013243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3909.013243 (E_RNA) where: Base-Base interactions energy: -2854.879 where: short stacking energy: -1092.202 Base-Backbone interact. energy: -3.680 local terms energy: -1050.454521 where: bonds (distance) C4'-P energy: -181.957 bonds (distance) P-C4' energy: -192.370 flat angles C4'-P-C4' energy: -211.916 flat angles P-C4'-P energy: -147.154 tors. eta vs tors. theta energy: -317.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3839.746081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3839.746081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3839.746081 (E_RNA) where: Base-Base interactions energy: -2822.085 where: short stacking energy: -1078.528 Base-Backbone interact. energy: -1.888 local terms energy: -1015.773268 where: bonds (distance) C4'-P energy: -162.831 bonds (distance) P-C4' energy: -167.642 flat angles C4'-P-C4' energy: -223.093 flat angles P-C4'-P energy: -150.949 tors. eta vs tors. theta energy: -311.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -3750.588856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3750.588856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3750.588856 (E_RNA) where: Base-Base interactions energy: -2750.062 where: short stacking energy: -1014.070 Base-Backbone interact. energy: -0.756 local terms energy: -999.770419 where: bonds (distance) C4'-P energy: -169.159 bonds (distance) P-C4' energy: -170.568 flat angles C4'-P-C4' energy: -211.076 flat angles P-C4'-P energy: -146.649 tors. eta vs tors. theta energy: -302.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -3620.151798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3620.151798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3620.151798 (E_RNA) where: Base-Base interactions energy: -2654.529 where: short stacking energy: -1014.582 Base-Backbone interact. energy: 5.819 local terms energy: -971.441835 where: bonds (distance) C4'-P energy: -158.955 bonds (distance) P-C4' energy: -172.929 flat angles C4'-P-C4' energy: -204.233 flat angles P-C4'-P energy: -137.698 tors. eta vs tors. theta energy: -297.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -3582.427895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3582.427895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3582.427895 (E_RNA) where: Base-Base interactions energy: -2611.567 where: short stacking energy: -984.831 Base-Backbone interact. energy: -1.704 local terms energy: -969.156706 where: bonds (distance) C4'-P energy: -173.066 bonds (distance) P-C4' energy: -159.805 flat angles C4'-P-C4' energy: -209.686 flat angles P-C4'-P energy: -130.135 tors. eta vs tors. theta energy: -296.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -3468.633192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.633192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.633192 (E_RNA) where: Base-Base interactions energy: -2495.968 where: short stacking energy: -987.416 Base-Backbone interact. energy: 4.208 local terms energy: -976.872912 where: bonds (distance) C4'-P energy: -171.578 bonds (distance) P-C4' energy: -161.214 flat angles C4'-P-C4' energy: -205.350 flat angles P-C4'-P energy: -144.396 tors. eta vs tors. theta energy: -294.334 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: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -3327.868304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.868304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.868304 (E_RNA) where: Base-Base interactions energy: -2446.602 where: short stacking energy: -934.460 Base-Backbone interact. energy: -2.579 local terms energy: -878.687129 where: bonds (distance) C4'-P energy: -125.728 bonds (distance) P-C4' energy: -160.000 flat angles C4'-P-C4' energy: -193.766 flat angles P-C4'-P energy: -117.486 tors. eta vs tors. theta energy: -281.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -3289.900948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.900948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.900948 (E_RNA) where: Base-Base interactions energy: -2441.920 where: short stacking energy: -920.467 Base-Backbone interact. energy: -1.436 local terms energy: -846.545299 where: bonds (distance) C4'-P energy: -134.414 bonds (distance) P-C4' energy: -151.872 flat angles C4'-P-C4' energy: -174.375 flat angles P-C4'-P energy: -116.292 tors. eta vs tors. theta energy: -269.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -3002.005567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.005567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.005567 (E_RNA) where: Base-Base interactions energy: -2197.750 where: short stacking energy: -866.278 Base-Backbone interact. energy: 6.018 local terms energy: -810.273680 where: bonds (distance) C4'-P energy: -151.441 bonds (distance) P-C4' energy: -117.838 flat angles C4'-P-C4' energy: -179.125 flat angles P-C4'-P energy: -121.733 tors. eta vs tors. theta energy: -240.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -2787.226408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.226408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.226408 (E_RNA) where: Base-Base interactions energy: -2037.193 where: short stacking energy: -788.982 Base-Backbone interact. energy: 1.085 local terms energy: -751.118348 where: bonds (distance) C4'-P energy: -118.688 bonds (distance) P-C4' energy: -124.641 flat angles C4'-P-C4' energy: -168.818 flat angles P-C4'-P energy: -120.555 tors. eta vs tors. theta energy: -218.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3932.619050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3932.619050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3932.619050 (E_RNA) where: Base-Base interactions energy: -2872.840 where: short stacking energy: -1098.926 Base-Backbone interact. energy: -4.549 local terms energy: -1055.230702 where: bonds (distance) C4'-P energy: -173.996 bonds (distance) P-C4' energy: -192.444 flat angles C4'-P-C4' energy: -225.281 flat angles P-C4'-P energy: -146.324 tors. eta vs tors. theta energy: -317.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3818.594615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3818.594615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3818.594615 (E_RNA) where: Base-Base interactions energy: -2788.394 where: short stacking energy: -1068.181 Base-Backbone interact. energy: 0.957 local terms energy: -1031.157582 where: bonds (distance) C4'-P energy: -169.588 bonds (distance) P-C4' energy: -180.747 flat angles C4'-P-C4' energy: -225.699 flat angles P-C4'-P energy: -153.928 tors. eta vs tors. theta energy: -301.196 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: 3 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -3737.395351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3737.395351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3737.395351 (E_RNA) where: Base-Base interactions energy: -2732.319 where: short stacking energy: -1051.519 Base-Backbone interact. energy: -2.161 local terms energy: -1002.914912 where: bonds (distance) C4'-P energy: -180.594 bonds (distance) P-C4' energy: -152.293 flat angles C4'-P-C4' energy: -214.276 flat angles P-C4'-P energy: -153.170 tors. eta vs tors. theta energy: -302.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -3606.848241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3606.848241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3606.848241 (E_RNA) where: Base-Base interactions energy: -2629.194 where: short stacking energy: -1017.230 Base-Backbone interact. energy: -0.030 local terms energy: -977.624208 where: bonds (distance) C4'-P energy: -181.111 bonds (distance) P-C4' energy: -147.429 flat angles C4'-P-C4' energy: -207.036 flat angles P-C4'-P energy: -147.249 tors. eta vs tors. theta energy: -294.799 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: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -3555.811815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3555.811815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3555.811815 (E_RNA) where: Base-Base interactions energy: -2612.038 where: short stacking energy: -998.312 Base-Backbone interact. energy: -2.444 local terms energy: -941.329617 where: bonds (distance) C4'-P energy: -168.199 bonds (distance) P-C4' energy: -155.511 flat angles C4'-P-C4' energy: -217.486 flat angles P-C4'-P energy: -114.487 tors. eta vs tors. theta energy: -285.647 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: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -3400.817752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3400.817752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3400.817752 (E_RNA) where: Base-Base interactions energy: -2477.851 where: short stacking energy: -960.331 Base-Backbone interact. energy: -0.252 local terms energy: -922.715026 where: bonds (distance) C4'-P energy: -154.261 bonds (distance) P-C4' energy: -165.601 flat angles C4'-P-C4' energy: -197.393 flat angles P-C4'-P energy: -128.472 tors. eta vs tors. theta energy: -276.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -3354.042957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.042957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.042957 (E_RNA) where: Base-Base interactions energy: -2469.372 where: short stacking energy: -955.332 Base-Backbone interact. energy: -4.664 local terms energy: -880.006741 where: bonds (distance) C4'-P energy: -168.606 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -186.897 flat angles P-C4'-P energy: -104.129 tors. eta vs tors. theta energy: -260.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -3275.723897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.723897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.723897 (E_RNA) where: Base-Base interactions energy: -2406.302 where: short stacking energy: -906.283 Base-Backbone interact. energy: -4.256 local terms energy: -865.165557 where: bonds (distance) C4'-P energy: -153.511 bonds (distance) P-C4' energy: -130.112 flat angles C4'-P-C4' energy: -192.526 flat angles P-C4'-P energy: -121.831 tors. eta vs tors. theta energy: -267.185 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: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -3113.380197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.380197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.380197 (E_RNA) where: Base-Base interactions energy: -2296.597 where: short stacking energy: -880.684 Base-Backbone interact. energy: -3.407 local terms energy: -813.376862 where: bonds (distance) C4'-P energy: -138.055 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -185.108 flat angles P-C4'-P energy: -107.090 tors. eta vs tors. theta energy: -246.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -2734.884617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.884617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.884617 (E_RNA) where: Base-Base interactions energy: -1976.050 where: short stacking energy: -766.235 Base-Backbone interact. energy: 5.876 local terms energy: -764.710568 where: bonds (distance) C4'-P energy: -140.112 bonds (distance) P-C4' energy: -115.381 flat angles C4'-P-C4' energy: -182.215 flat angles P-C4'-P energy: -106.352 tors. eta vs tors. theta energy: -220.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3891.541675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3891.541675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3891.541675 (E_RNA) where: Base-Base interactions energy: -2818.827 where: short stacking energy: -1081.939 Base-Backbone interact. energy: -0.965 local terms energy: -1071.749088 where: bonds (distance) C4'-P energy: -194.880 bonds (distance) P-C4' energy: -184.059 flat angles C4'-P-C4' energy: -227.509 flat angles P-C4'-P energy: -149.456 tors. eta vs tors. theta energy: -315.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3795.681550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3795.681550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3795.681550 (E_RNA) where: Base-Base interactions energy: -2746.523 where: short stacking energy: -1065.710 Base-Backbone interact. energy: -0.611 local terms energy: -1048.547489 where: bonds (distance) C4'-P energy: -176.819 bonds (distance) P-C4' energy: -183.679 flat angles C4'-P-C4' energy: -225.008 flat angles P-C4'-P energy: -154.318 tors. eta vs tors. theta energy: -308.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -3724.414138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3724.414138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3724.414138 (E_RNA) where: Base-Base interactions energy: -2697.968 where: short stacking energy: -1016.353 Base-Backbone interact. energy: 1.153 local terms energy: -1027.599127 where: bonds (distance) C4'-P energy: -185.333 bonds (distance) P-C4' energy: -180.965 flat angles C4'-P-C4' energy: -212.456 flat angles P-C4'-P energy: -145.402 tors. eta vs tors. theta energy: -303.443 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: 428 Temperature: 1.050000 Total energy: -3616.707495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3616.707495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3616.707495 (E_RNA) where: Base-Base interactions energy: -2636.942 where: short stacking energy: -1018.279 Base-Backbone interact. energy: -2.616 local terms energy: -977.149631 where: bonds (distance) C4'-P energy: -157.183 bonds (distance) P-C4' energy: -169.562 flat angles C4'-P-C4' energy: -212.392 flat angles P-C4'-P energy: -139.707 tors. eta vs tors. theta energy: -298.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -3570.521922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.521922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.521922 (E_RNA) where: Base-Base interactions energy: -2624.918 where: short stacking energy: -1018.758 Base-Backbone interact. energy: -0.112 local terms energy: -945.491421 where: bonds (distance) C4'-P energy: -175.105 bonds (distance) P-C4' energy: -156.806 flat angles C4'-P-C4' energy: -200.690 flat angles P-C4'-P energy: -121.961 tors. eta vs tors. theta energy: -290.930 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: 428 Temperature: 1.150000 Total energy: -3376.723907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3376.723907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3376.723907 (E_RNA) where: Base-Base interactions energy: -2443.010 where: short stacking energy: -963.263 Base-Backbone interact. energy: 0.995 local terms energy: -934.709169 where: bonds (distance) C4'-P energy: -148.108 bonds (distance) P-C4' energy: -156.084 flat angles C4'-P-C4' energy: -211.939 flat angles P-C4'-P energy: -130.369 tors. eta vs tors. theta energy: -288.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -3387.667716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.667716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.667716 (E_RNA) where: Base-Base interactions energy: -2477.836 where: short stacking energy: -946.166 Base-Backbone interact. energy: -2.688 local terms energy: -907.144069 where: bonds (distance) C4'-P energy: -170.593 bonds (distance) P-C4' energy: -131.656 flat angles C4'-P-C4' energy: -191.282 flat angles P-C4'-P energy: -132.282 tors. eta vs tors. theta energy: -281.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -3285.938675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.938675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.938675 (E_RNA) where: Base-Base interactions energy: -2406.274 where: short stacking energy: -899.539 Base-Backbone interact. energy: 8.713 local terms energy: -888.378190 where: bonds (distance) C4'-P energy: -156.880 bonds (distance) P-C4' energy: -146.783 flat angles C4'-P-C4' energy: -185.413 flat angles P-C4'-P energy: -128.646 tors. eta vs tors. theta energy: -270.656 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: 428 Temperature: 1.300000 Total energy: -3020.830612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.830612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.830612 (E_RNA) where: Base-Base interactions energy: -2215.707 where: short stacking energy: -857.380 Base-Backbone interact. energy: 0.102 local terms energy: -805.224741 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -135.010 flat angles C4'-P-C4' energy: -169.693 flat angles P-C4'-P energy: -112.988 tors. eta vs tors. theta energy: -250.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -2728.399311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.399311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.399311 (E_RNA) where: Base-Base interactions energy: -1951.998 where: short stacking energy: -753.020 Base-Backbone interact. energy: -0.865 local terms energy: -775.536226 where: bonds (distance) C4'-P energy: -143.728 bonds (distance) P-C4' energy: -132.469 flat angles C4'-P-C4' energy: -160.949 flat angles P-C4'-P energy: -108.773 tors. eta vs tors. theta energy: -229.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3910.187670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3910.187670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3910.187670 (E_RNA) where: Base-Base interactions energy: -2884.060 where: short stacking energy: -1099.157 Base-Backbone interact. energy: -2.226 local terms energy: -1023.900797 where: bonds (distance) C4'-P energy: -166.498 bonds (distance) P-C4' energy: -170.898 flat angles C4'-P-C4' energy: -225.118 flat angles P-C4'-P energy: -147.081 tors. eta vs tors. theta energy: -314.305 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: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -3814.434258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3814.434258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3814.434258 (E_RNA) where: Base-Base interactions energy: -2769.646 where: short stacking energy: -1078.293 Base-Backbone interact. energy: 0.801 local terms energy: -1045.589779 where: bonds (distance) C4'-P energy: -190.055 bonds (distance) P-C4' energy: -174.426 flat angles C4'-P-C4' energy: -221.285 flat angles P-C4'-P energy: -150.327 tors. eta vs tors. theta energy: -309.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -3692.294652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3692.294652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3692.294652 (E_RNA) where: Base-Base interactions energy: -2691.039 where: short stacking energy: -1042.296 Base-Backbone interact. energy: -6.180 local terms energy: -995.075445 where: bonds (distance) C4'-P energy: -176.813 bonds (distance) P-C4' energy: -174.469 flat angles C4'-P-C4' energy: -205.924 flat angles P-C4'-P energy: -142.669 tors. eta vs tors. theta energy: -295.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -3642.562165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3642.562165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3642.562165 (E_RNA) where: Base-Base interactions energy: -2645.691 where: short stacking energy: -1027.832 Base-Backbone interact. energy: -3.371 local terms energy: -993.499976 where: bonds (distance) C4'-P energy: -171.403 bonds (distance) P-C4' energy: -178.544 flat angles C4'-P-C4' energy: -214.265 flat angles P-C4'-P energy: -131.013 tors. eta vs tors. theta energy: -298.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -3580.068950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3580.068950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3580.068950 (E_RNA) where: Base-Base interactions energy: -2607.367 where: short stacking energy: -998.604 Base-Backbone interact. energy: 0.841 local terms energy: -973.542964 where: bonds (distance) C4'-P energy: -156.722 bonds (distance) P-C4' energy: -169.282 flat angles C4'-P-C4' energy: -208.996 flat angles P-C4'-P energy: -143.846 tors. eta vs tors. theta energy: -294.697 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: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -3488.646257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.646257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.646257 (E_RNA) where: Base-Base interactions energy: -2521.988 where: short stacking energy: -979.960 Base-Backbone interact. energy: 0.950 local terms energy: -967.607765 where: bonds (distance) C4'-P energy: -170.321 bonds (distance) P-C4' energy: -165.810 flat angles C4'-P-C4' energy: -193.981 flat angles P-C4'-P energy: -142.615 tors. eta vs tors. theta energy: -294.881 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: 429 Temperature: 1.200000 Total energy: -3318.778747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.778747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.778747 (E_RNA) where: Base-Base interactions energy: -2404.881 where: short stacking energy: -941.917 Base-Backbone interact. energy: -2.120 local terms energy: -911.777407 where: bonds (distance) C4'-P energy: -147.889 bonds (distance) P-C4' energy: -142.813 flat angles C4'-P-C4' energy: -202.199 flat angles P-C4'-P energy: -137.901 tors. eta vs tors. theta energy: -280.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -3274.919579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.919579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.919579 (E_RNA) where: Base-Base interactions energy: -2403.843 where: short stacking energy: -894.621 Base-Backbone interact. energy: 2.141 local terms energy: -873.217518 where: bonds (distance) C4'-P energy: -163.081 bonds (distance) P-C4' energy: -165.975 flat angles C4'-P-C4' energy: -167.524 flat angles P-C4'-P energy: -114.465 tors. eta vs tors. theta energy: -262.173 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: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -3036.221918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.221918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.221918 (E_RNA) where: Base-Base interactions energy: -2179.317 where: short stacking energy: -863.779 Base-Backbone interact. energy: -0.084 local terms energy: -856.820977 where: bonds (distance) C4'-P energy: -133.031 bonds (distance) P-C4' energy: -144.243 flat angles C4'-P-C4' energy: -195.308 flat angles P-C4'-P energy: -135.047 tors. eta vs tors. theta energy: -249.192 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: 429 Temperature: 1.350000 Total energy: -2800.189520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.189520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.189520 (E_RNA) where: Base-Base interactions energy: -2010.082 where: short stacking energy: -764.566 Base-Backbone interact. energy: -1.170 local terms energy: -788.938324 where: bonds (distance) C4'-P energy: -140.912 bonds (distance) P-C4' energy: -153.323 flat angles C4'-P-C4' energy: -171.165 flat angles P-C4'-P energy: -113.516 tors. eta vs tors. theta energy: -210.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3900.099871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3900.099871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3900.099871 (E_RNA) where: Base-Base interactions energy: -2850.517 where: short stacking energy: -1089.723 Base-Backbone interact. energy: 0.360 local terms energy: -1049.941981 where: bonds (distance) C4'-P energy: -188.456 bonds (distance) P-C4' energy: -176.388 flat angles C4'-P-C4' energy: -230.139 flat angles P-C4'-P energy: -143.881 tors. eta vs tors. theta energy: -311.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3808.882967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3808.882967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3808.882967 (E_RNA) where: Base-Base interactions energy: -2790.079 where: short stacking energy: -1084.351 Base-Backbone interact. energy: -0.855 local terms energy: -1017.948839 where: bonds (distance) C4'-P energy: -195.947 bonds (distance) P-C4' energy: -173.545 flat angles C4'-P-C4' energy: -212.199 flat angles P-C4'-P energy: -131.460 tors. eta vs tors. theta energy: -304.798 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: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -3746.531631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3746.531631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3746.531631 (E_RNA) where: Base-Base interactions energy: -2734.254 where: short stacking energy: -1051.353 Base-Backbone interact. energy: -0.954 local terms energy: -1011.324218 where: bonds (distance) C4'-P energy: -167.962 bonds (distance) P-C4' energy: -187.328 flat angles C4'-P-C4' energy: -215.779 flat angles P-C4'-P energy: -137.036 tors. eta vs tors. theta energy: -303.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -3616.523909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3616.523909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3616.523909 (E_RNA) where: Base-Base interactions energy: -2633.509 where: short stacking energy: -1019.717 Base-Backbone interact. energy: 1.017 local terms energy: -984.031351 where: bonds (distance) C4'-P energy: -155.437 bonds (distance) P-C4' energy: -172.380 flat angles C4'-P-C4' energy: -203.863 flat angles P-C4'-P energy: -147.375 tors. eta vs tors. theta energy: -304.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -3588.227042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3588.227042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3588.227042 (E_RNA) where: Base-Base interactions energy: -2600.151 where: short stacking energy: -1020.708 Base-Backbone interact. energy: -1.670 local terms energy: -986.406396 where: bonds (distance) C4'-P energy: -171.232 bonds (distance) P-C4' energy: -174.876 flat angles C4'-P-C4' energy: -211.151 flat angles P-C4'-P energy: -130.845 tors. eta vs tors. theta energy: -298.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -3492.753929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3492.753929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3492.753929 (E_RNA) where: Base-Base interactions energy: -2601.595 where: short stacking energy: -996.762 Base-Backbone interact. energy: -0.961 local terms energy: -890.198086 where: bonds (distance) C4'-P energy: -120.125 bonds (distance) P-C4' energy: -147.818 flat angles C4'-P-C4' energy: -213.432 flat angles P-C4'-P energy: -116.491 tors. eta vs tors. theta energy: -292.332 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: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -3356.699802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3356.699802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3356.699802 (E_RNA) where: Base-Base interactions energy: -2476.291 where: short stacking energy: -967.102 Base-Backbone interact. energy: 0.935 local terms energy: -881.343354 where: bonds (distance) C4'-P energy: -136.971 bonds (distance) P-C4' energy: -139.062 flat angles C4'-P-C4' energy: -198.905 flat angles P-C4'-P energy: -122.492 tors. eta vs tors. theta energy: -283.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -3260.070065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.070065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.070065 (E_RNA) where: Base-Base interactions energy: -2402.712 where: short stacking energy: -928.589 Base-Backbone interact. energy: -1.203 local terms energy: -856.154898 where: bonds (distance) C4'-P energy: -139.952 bonds (distance) P-C4' energy: -150.672 flat angles C4'-P-C4' energy: -178.577 flat angles P-C4'-P energy: -108.561 tors. eta vs tors. theta energy: -278.394 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: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -3082.901454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.901454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.901454 (E_RNA) where: Base-Base interactions energy: -2256.409 where: short stacking energy: -878.175 Base-Backbone interact. energy: 0.874 local terms energy: -827.366098 where: bonds (distance) C4'-P energy: -131.905 bonds (distance) P-C4' energy: -138.206 flat angles C4'-P-C4' energy: -184.222 flat angles P-C4'-P energy: -116.505 tors. eta vs tors. theta energy: -256.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -2748.949193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.949193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.949193 (E_RNA) where: Base-Base interactions energy: -1998.992 where: short stacking energy: -779.475 Base-Backbone interact. energy: -0.064 local terms energy: -749.893219 where: bonds (distance) C4'-P energy: -138.405 bonds (distance) P-C4' energy: -138.384 flat angles C4'-P-C4' energy: -163.472 flat angles P-C4'-P energy: -102.331 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: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3887.402100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3887.402100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3887.402100 (E_RNA) where: Base-Base interactions energy: -2854.946 where: short stacking energy: -1100.117 Base-Backbone interact. energy: 3.462 local terms energy: -1035.917982 where: bonds (distance) C4'-P energy: -170.825 bonds (distance) P-C4' energy: -188.402 flat angles C4'-P-C4' energy: -219.805 flat angles P-C4'-P energy: -143.166 tors. eta vs tors. theta energy: -313.720 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: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3777.477702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3777.477702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3777.477702 (E_RNA) where: Base-Base interactions energy: -2751.201 where: short stacking energy: -1036.227 Base-Backbone interact. energy: -1.660 local terms energy: -1024.616734 where: bonds (distance) C4'-P energy: -177.784 bonds (distance) P-C4' energy: -179.317 flat angles C4'-P-C4' energy: -223.868 flat angles P-C4'-P energy: -141.637 tors. eta vs tors. theta energy: -302.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -3716.930308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3716.930308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3716.930308 (E_RNA) where: Base-Base interactions energy: -2715.131 where: short stacking energy: -1067.269 Base-Backbone interact. energy: -2.579 local terms energy: -999.221142 where: bonds (distance) C4'-P energy: -174.674 bonds (distance) P-C4' energy: -150.743 flat angles C4'-P-C4' energy: -215.842 flat angles P-C4'-P energy: -151.058 tors. eta vs tors. theta energy: -306.903 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: 431 Temperature: 1.050000 Total energy: -3655.909986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3655.909986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3655.909986 (E_RNA) where: Base-Base interactions energy: -2669.056 where: short stacking energy: -1032.029 Base-Backbone interact. energy: 1.687 local terms energy: -988.540851 where: bonds (distance) C4'-P energy: -171.569 bonds (distance) P-C4' energy: -173.925 flat angles C4'-P-C4' energy: -210.069 flat angles P-C4'-P energy: -138.754 tors. eta vs tors. theta energy: -294.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -3576.026864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3576.026864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3576.026864 (E_RNA) where: Base-Base interactions energy: -2606.666 where: short stacking energy: -1009.660 Base-Backbone interact. energy: -2.874 local terms energy: -966.486571 where: bonds (distance) C4'-P energy: -155.352 bonds (distance) P-C4' energy: -180.913 flat angles C4'-P-C4' energy: -201.806 flat angles P-C4'-P energy: -140.761 tors. eta vs tors. theta energy: -287.655 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: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -3521.750266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3521.750266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3521.750266 (E_RNA) where: Base-Base interactions energy: -2608.143 where: short stacking energy: -1016.514 Base-Backbone interact. energy: -2.962 local terms energy: -910.645294 where: bonds (distance) C4'-P energy: -144.409 bonds (distance) P-C4' energy: -150.339 flat angles C4'-P-C4' energy: -193.906 flat angles P-C4'-P energy: -126.350 tors. eta vs tors. theta energy: -295.642 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: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -3337.016416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.016416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.016416 (E_RNA) where: Base-Base interactions energy: -2398.949 where: short stacking energy: -932.420 Base-Backbone interact. energy: 1.421 local terms energy: -939.488859 where: bonds (distance) C4'-P energy: -161.295 bonds (distance) P-C4' energy: -163.371 flat angles C4'-P-C4' energy: -205.992 flat angles P-C4'-P energy: -117.198 tors. eta vs tors. theta energy: -291.633 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: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -3312.623151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.623151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.623151 (E_RNA) where: Base-Base interactions energy: -2446.841 where: short stacking energy: -926.725 Base-Backbone interact. energy: 2.753 local terms energy: -868.535527 where: bonds (distance) C4'-P energy: -133.381 bonds (distance) P-C4' energy: -164.036 flat angles C4'-P-C4' energy: -176.245 flat angles P-C4'-P energy: -108.888 tors. eta vs tors. theta energy: -285.985 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: 431 Temperature: 1.300000 Total energy: -3004.350046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.350046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.350046 (E_RNA) where: Base-Base interactions energy: -2186.153 where: short stacking energy: -842.340 Base-Backbone interact. energy: -0.260 local terms energy: -817.937272 where: bonds (distance) C4'-P energy: -142.551 bonds (distance) P-C4' energy: -143.179 flat angles C4'-P-C4' energy: -177.220 flat angles P-C4'-P energy: -108.463 tors. eta vs tors. theta energy: -246.524 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: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -2733.867270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.867270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.867270 (E_RNA) where: Base-Base interactions energy: -1954.186 where: short stacking energy: -762.267 Base-Backbone interact. energy: 0.637 local terms energy: -780.318745 where: bonds (distance) C4'-P energy: -158.808 bonds (distance) P-C4' energy: -133.886 flat angles C4'-P-C4' energy: -163.285 flat angles P-C4'-P energy: -110.992 tors. eta vs tors. theta energy: -213.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3902.957077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3902.957077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3902.957077 (E_RNA) where: Base-Base interactions energy: -2862.274 where: short stacking energy: -1105.733 Base-Backbone interact. energy: -2.166 local terms energy: -1038.517106 where: bonds (distance) C4'-P energy: -176.859 bonds (distance) P-C4' energy: -189.721 flat angles C4'-P-C4' energy: -205.691 flat angles P-C4'-P energy: -149.982 tors. eta vs tors. theta energy: -316.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3796.265036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3796.265036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3796.265036 (E_RNA) where: Base-Base interactions energy: -2783.436 where: short stacking energy: -1084.790 Base-Backbone interact. energy: -2.853 local terms energy: -1009.976036 where: bonds (distance) C4'-P energy: -173.295 bonds (distance) P-C4' energy: -172.879 flat angles C4'-P-C4' energy: -219.262 flat angles P-C4'-P energy: -137.065 tors. eta vs tors. theta energy: -307.475 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: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -3734.867169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.867169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.867169 (E_RNA) where: Base-Base interactions energy: -2752.234 where: short stacking energy: -1061.844 Base-Backbone interact. energy: 0.477 local terms energy: -983.110686 where: bonds (distance) C4'-P energy: -162.019 bonds (distance) P-C4' energy: -191.462 flat angles C4'-P-C4' energy: -203.739 flat angles P-C4'-P energy: -135.401 tors. eta vs tors. theta energy: -290.490 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: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -3666.468099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3666.468099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3666.468099 (E_RNA) where: Base-Base interactions energy: -2707.507 where: short stacking energy: -1044.939 Base-Backbone interact. energy: -2.144 local terms energy: -956.817129 where: bonds (distance) C4'-P energy: -165.940 bonds (distance) P-C4' energy: -149.684 flat angles C4'-P-C4' energy: -195.745 flat angles P-C4'-P energy: -144.128 tors. eta vs tors. theta energy: -301.321 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: 9 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -3544.623052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3544.623052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3544.623052 (E_RNA) where: Base-Base interactions energy: -2600.690 where: short stacking energy: -1003.659 Base-Backbone interact. energy: -0.352 local terms energy: -943.580654 where: bonds (distance) C4'-P energy: -143.760 bonds (distance) P-C4' energy: -159.824 flat angles C4'-P-C4' energy: -203.012 flat angles P-C4'-P energy: -150.727 tors. eta vs tors. theta energy: -286.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -3485.302356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.302356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.302356 (E_RNA) where: Base-Base interactions energy: -2532.544 where: short stacking energy: -980.382 Base-Backbone interact. energy: -2.890 local terms energy: -949.868136 where: bonds (distance) C4'-P energy: -164.610 bonds (distance) P-C4' energy: -154.680 flat angles C4'-P-C4' energy: -208.093 flat angles P-C4'-P energy: -126.307 tors. eta vs tors. theta energy: -296.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -3402.185339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3402.185339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3402.185339 (E_RNA) where: Base-Base interactions energy: -2458.277 where: short stacking energy: -946.289 Base-Backbone interact. energy: -1.235 local terms energy: -942.673412 where: bonds (distance) C4'-P energy: -159.947 bonds (distance) P-C4' energy: -175.320 flat angles C4'-P-C4' energy: -195.010 flat angles P-C4'-P energy: -113.031 tors. eta vs tors. theta energy: -299.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -3306.637948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3306.637948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3306.637948 (E_RNA) where: Base-Base interactions energy: -2392.987 where: short stacking energy: -904.588 Base-Backbone interact. energy: 1.114 local terms energy: -914.765407 where: bonds (distance) C4'-P energy: -158.061 bonds (distance) P-C4' energy: -148.264 flat angles C4'-P-C4' energy: -194.214 flat angles P-C4'-P energy: -138.371 tors. eta vs tors. theta energy: -275.855 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: 432 Temperature: 1.300000 Total energy: -3074.719290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.719290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.719290 (E_RNA) where: Base-Base interactions energy: -2252.991 where: short stacking energy: -851.739 Base-Backbone interact. energy: -0.922 local terms energy: -820.806133 where: bonds (distance) C4'-P energy: -112.868 bonds (distance) P-C4' energy: -170.040 flat angles C4'-P-C4' energy: -178.910 flat angles P-C4'-P energy: -109.380 tors. eta vs tors. theta energy: -249.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -2748.586591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.586591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.586591 (E_RNA) where: Base-Base interactions energy: -1974.526 where: short stacking energy: -755.172 Base-Backbone interact. energy: 1.996 local terms energy: -776.056252 where: bonds (distance) C4'-P energy: -125.359 bonds (distance) P-C4' energy: -157.405 flat angles C4'-P-C4' energy: -175.928 flat angles P-C4'-P energy: -103.620 tors. eta vs tors. theta energy: -213.744 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: 1 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3904.870987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3904.870987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3904.870987 (E_RNA) where: Base-Base interactions energy: -2851.501 where: short stacking energy: -1092.445 Base-Backbone interact. energy: -0.725 local terms energy: -1052.645017 where: bonds (distance) C4'-P energy: -186.641 bonds (distance) P-C4' energy: -169.152 flat angles C4'-P-C4' energy: -222.432 flat angles P-C4'-P energy: -156.838 tors. eta vs tors. theta energy: -317.582 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: 433 Temperature: 0.950000 Total energy: -3785.986949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3785.986949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3785.986949 (E_RNA) where: Base-Base interactions energy: -2770.341 where: short stacking energy: -1050.413 Base-Backbone interact. energy: -1.669 local terms energy: -1013.977052 where: bonds (distance) C4'-P energy: -169.654 bonds (distance) P-C4' energy: -179.032 flat angles C4'-P-C4' energy: -217.474 flat angles P-C4'-P energy: -148.229 tors. eta vs tors. theta energy: -299.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -3695.461810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3695.461810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3695.461810 (E_RNA) where: Base-Base interactions energy: -2709.970 where: short stacking energy: -1042.546 Base-Backbone interact. energy: -4.978 local terms energy: -980.514494 where: bonds (distance) C4'-P energy: -169.288 bonds (distance) P-C4' energy: -160.019 flat angles C4'-P-C4' energy: -207.063 flat angles P-C4'-P energy: -152.564 tors. eta vs tors. theta energy: -291.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -3660.299165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3660.299165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3660.299165 (E_RNA) where: Base-Base interactions energy: -2676.967 where: short stacking energy: -1033.798 Base-Backbone interact. energy: -4.490 local terms energy: -978.842077 where: bonds (distance) C4'-P energy: -155.413 bonds (distance) P-C4' energy: -174.659 flat angles C4'-P-C4' energy: -217.427 flat angles P-C4'-P energy: -134.662 tors. eta vs tors. theta energy: -296.680 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: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -3558.600442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.600442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.600442 (E_RNA) where: Base-Base interactions energy: -2602.515 where: short stacking energy: -1018.089 Base-Backbone interact. energy: -1.263 local terms energy: -954.822008 where: bonds (distance) C4'-P energy: -172.856 bonds (distance) P-C4' energy: -168.381 flat angles C4'-P-C4' energy: -204.622 flat angles P-C4'-P energy: -115.411 tors. eta vs tors. theta energy: -293.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -3504.124618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3504.124618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3504.124618 (E_RNA) where: Base-Base interactions energy: -2567.082 where: short stacking energy: -984.458 Base-Backbone interact. energy: 2.813 local terms energy: -939.856245 where: bonds (distance) C4'-P energy: -159.135 bonds (distance) P-C4' energy: -144.303 flat angles C4'-P-C4' energy: -210.230 flat angles P-C4'-P energy: -139.599 tors. eta vs tors. theta energy: -286.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -3347.252839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.252839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.252839 (E_RNA) where: Base-Base interactions energy: -2440.343 where: short stacking energy: -942.319 Base-Backbone interact. energy: 3.511 local terms energy: -910.421515 where: bonds (distance) C4'-P energy: -163.338 bonds (distance) P-C4' energy: -153.363 flat angles C4'-P-C4' energy: -187.579 flat angles P-C4'-P energy: -117.601 tors. eta vs tors. theta energy: -288.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -3326.036583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.036583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.036583 (E_RNA) where: Base-Base interactions energy: -2449.647 where: short stacking energy: -933.996 Base-Backbone interact. energy: -3.954 local terms energy: -872.436382 where: bonds (distance) C4'-P energy: -154.095 bonds (distance) P-C4' energy: -146.797 flat angles C4'-P-C4' energy: -173.482 flat angles P-C4'-P energy: -109.788 tors. eta vs tors. theta energy: -288.275 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: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -3076.496847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.496847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.496847 (E_RNA) where: Base-Base interactions energy: -2236.469 where: short stacking energy: -880.555 Base-Backbone interact. energy: 4.665 local terms energy: -844.692675 where: bonds (distance) C4'-P energy: -120.645 bonds (distance) P-C4' energy: -163.466 flat angles C4'-P-C4' energy: -195.388 flat angles P-C4'-P energy: -110.900 tors. eta vs tors. theta energy: -254.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -2757.632100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.632100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.632100 (E_RNA) where: Base-Base interactions energy: -2007.808 where: short stacking energy: -778.094 Base-Backbone interact. energy: 7.283 local terms energy: -757.107463 where: bonds (distance) C4'-P energy: -119.168 bonds (distance) P-C4' energy: -138.611 flat angles C4'-P-C4' energy: -170.336 flat angles P-C4'-P energy: -112.188 tors. eta vs tors. theta energy: -216.805 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: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3908.713695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3908.713695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3908.713695 (E_RNA) where: Base-Base interactions energy: -2856.687 where: short stacking energy: -1101.986 Base-Backbone interact. energy: -0.352 local terms energy: -1051.674108 where: bonds (distance) C4'-P energy: -178.819 bonds (distance) P-C4' energy: -186.512 flat angles C4'-P-C4' energy: -214.775 flat angles P-C4'-P energy: -150.511 tors. eta vs tors. theta energy: -321.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3829.473184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3829.473184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3829.473184 (E_RNA) where: Base-Base interactions energy: -2811.929 where: short stacking energy: -1072.379 Base-Backbone interact. energy: -3.973 local terms energy: -1013.570700 where: bonds (distance) C4'-P energy: -166.834 bonds (distance) P-C4' energy: -177.244 flat angles C4'-P-C4' energy: -214.281 flat angles P-C4'-P energy: -138.836 tors. eta vs tors. theta energy: -316.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -3723.005114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3723.005114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3723.005114 (E_RNA) where: Base-Base interactions energy: -2700.146 where: short stacking energy: -1041.126 Base-Backbone interact. energy: -0.972 local terms energy: -1021.887635 where: bonds (distance) C4'-P energy: -181.883 bonds (distance) P-C4' energy: -179.801 flat angles C4'-P-C4' energy: -210.829 flat angles P-C4'-P energy: -152.349 tors. eta vs tors. theta energy: -297.026 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: 434 Temperature: 1.050000 Total energy: -3663.123960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3663.123960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3663.123960 (E_RNA) where: Base-Base interactions energy: -2711.496 where: short stacking energy: -1047.716 Base-Backbone interact. energy: -2.438 local terms energy: -949.190268 where: bonds (distance) C4'-P energy: -181.604 bonds (distance) P-C4' energy: -153.065 flat angles C4'-P-C4' energy: -187.962 flat angles P-C4'-P energy: -129.592 tors. eta vs tors. theta energy: -296.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -3577.053047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3577.053047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3577.053047 (E_RNA) where: Base-Base interactions energy: -2591.214 where: short stacking energy: -998.515 Base-Backbone interact. energy: -3.459 local terms energy: -982.379389 where: bonds (distance) C4'-P energy: -160.876 bonds (distance) P-C4' energy: -157.704 flat angles C4'-P-C4' energy: -220.462 flat angles P-C4'-P energy: -155.303 tors. eta vs tors. theta energy: -288.035 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: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -3512.370564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3512.370564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3512.370564 (E_RNA) where: Base-Base interactions energy: -2563.801 where: short stacking energy: -988.860 Base-Backbone interact. energy: 2.894 local terms energy: -951.463639 where: bonds (distance) C4'-P energy: -166.941 bonds (distance) P-C4' energy: -164.137 flat angles C4'-P-C4' energy: -199.667 flat angles P-C4'-P energy: -134.261 tors. eta vs tors. theta energy: -286.457 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: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -3366.860088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3366.860088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3366.860088 (E_RNA) where: Base-Base interactions energy: -2473.912 where: short stacking energy: -948.959 Base-Backbone interact. energy: -1.462 local terms energy: -891.485856 where: bonds (distance) C4'-P energy: -154.841 bonds (distance) P-C4' energy: -142.278 flat angles C4'-P-C4' energy: -192.505 flat angles P-C4'-P energy: -139.840 tors. eta vs tors. theta energy: -262.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -3330.741143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.741143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.741143 (E_RNA) where: Base-Base interactions energy: -2443.349 where: short stacking energy: -939.377 Base-Backbone interact. energy: -0.730 local terms energy: -886.662829 where: bonds (distance) C4'-P energy: -148.278 bonds (distance) P-C4' energy: -156.693 flat angles C4'-P-C4' energy: -191.270 flat angles P-C4'-P energy: -112.882 tors. eta vs tors. theta energy: -277.539 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: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -3080.279263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.279263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.279263 (E_RNA) where: Base-Base interactions energy: -2230.911 where: short stacking energy: -872.548 Base-Backbone interact. energy: -2.377 local terms energy: -846.991024 where: bonds (distance) C4'-P energy: -143.244 bonds (distance) P-C4' energy: -134.043 flat angles C4'-P-C4' energy: -195.321 flat angles P-C4'-P energy: -119.502 tors. eta vs tors. theta energy: -254.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -2790.290763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.290763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.290763 (E_RNA) where: Base-Base interactions energy: -2008.175 where: short stacking energy: -766.774 Base-Backbone interact. energy: 1.640 local terms energy: -783.755449 where: bonds (distance) C4'-P energy: -130.223 bonds (distance) P-C4' energy: -157.222 flat angles C4'-P-C4' energy: -170.488 flat angles P-C4'-P energy: -94.234 tors. eta vs tors. theta energy: -231.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3904.766374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3904.766374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3904.766374 (E_RNA) where: Base-Base interactions energy: -2840.165 where: short stacking energy: -1089.046 Base-Backbone interact. energy: -2.765 local terms energy: -1061.836065 where: bonds (distance) C4'-P energy: -187.827 bonds (distance) P-C4' energy: -173.986 flat angles C4'-P-C4' energy: -231.355 flat angles P-C4'-P energy: -152.165 tors. eta vs tors. theta energy: -316.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3844.696711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3844.696711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3844.696711 (E_RNA) where: Base-Base interactions energy: -2798.392 where: short stacking energy: -1066.161 Base-Backbone interact. energy: -1.969 local terms energy: -1044.335473 where: bonds (distance) C4'-P energy: -185.983 bonds (distance) P-C4' energy: -179.465 flat angles C4'-P-C4' energy: -213.178 flat angles P-C4'-P energy: -154.835 tors. eta vs tors. theta energy: -310.875 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: 435 Temperature: 1.000000 Total energy: -3718.015202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3718.015202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3718.015202 (E_RNA) where: Base-Base interactions energy: -2712.576 where: short stacking energy: -1046.513 Base-Backbone interact. energy: -2.198 local terms energy: -1003.241437 where: bonds (distance) C4'-P energy: -166.831 bonds (distance) P-C4' energy: -170.706 flat angles C4'-P-C4' energy: -207.631 flat angles P-C4'-P energy: -150.570 tors. eta vs tors. theta energy: -307.504 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: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -3666.297798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3666.297798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3666.297798 (E_RNA) where: Base-Base interactions energy: -2685.533 where: short stacking energy: -1043.940 Base-Backbone interact. energy: 0.072 local terms energy: -980.836762 where: bonds (distance) C4'-P energy: -167.165 bonds (distance) P-C4' energy: -167.030 flat angles C4'-P-C4' energy: -210.325 flat angles P-C4'-P energy: -130.245 tors. eta vs tors. theta energy: -306.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -3544.134332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3544.134332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3544.134332 (E_RNA) where: Base-Base interactions energy: -2564.730 where: short stacking energy: -994.759 Base-Backbone interact. energy: -3.746 local terms energy: -975.658038 where: bonds (distance) C4'-P energy: -153.659 bonds (distance) P-C4' energy: -172.377 flat angles C4'-P-C4' energy: -220.369 flat angles P-C4'-P energy: -146.955 tors. eta vs tors. theta energy: -282.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -3479.727063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.727063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.727063 (E_RNA) where: Base-Base interactions energy: -2536.270 where: short stacking energy: -967.037 Base-Backbone interact. energy: -2.884 local terms energy: -940.572203 where: bonds (distance) C4'-P energy: -148.444 bonds (distance) P-C4' energy: -161.378 flat angles C4'-P-C4' energy: -199.481 flat angles P-C4'-P energy: -135.581 tors. eta vs tors. theta energy: -295.688 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: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -3363.167833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3363.167833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3363.167833 (E_RNA) where: Base-Base interactions energy: -2438.321 where: short stacking energy: -950.093 Base-Backbone interact. energy: -3.245 local terms energy: -921.602098 where: bonds (distance) C4'-P energy: -147.134 bonds (distance) P-C4' energy: -169.489 flat angles C4'-P-C4' energy: -195.629 flat angles P-C4'-P energy: -129.782 tors. eta vs tors. theta energy: -279.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -3414.819539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.819539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.819539 (E_RNA) where: Base-Base interactions energy: -2530.582 where: short stacking energy: -978.526 Base-Backbone interact. energy: -2.185 local terms energy: -882.053192 where: bonds (distance) C4'-P energy: -124.295 bonds (distance) P-C4' energy: -126.633 flat angles C4'-P-C4' energy: -212.178 flat angles P-C4'-P energy: -123.597 tors. eta vs tors. theta energy: -295.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -3104.024560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.024560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.024560 (E_RNA) where: Base-Base interactions energy: -2268.377 where: short stacking energy: -872.480 Base-Backbone interact. energy: 0.155 local terms energy: -835.801942 where: bonds (distance) C4'-P energy: -149.358 bonds (distance) P-C4' energy: -134.088 flat angles C4'-P-C4' energy: -188.973 flat angles P-C4'-P energy: -114.262 tors. eta vs tors. theta energy: -249.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -2738.392982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.392982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.392982 (E_RNA) where: Base-Base interactions energy: -1975.398 where: short stacking energy: -782.084 Base-Backbone interact. energy: -0.794 local terms energy: -762.200439 where: bonds (distance) C4'-P energy: -153.055 bonds (distance) P-C4' energy: -145.393 flat angles C4'-P-C4' energy: -156.055 flat angles P-C4'-P energy: -95.240 tors. eta vs tors. theta energy: -212.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3917.156479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3917.156479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3917.156479 (E_RNA) where: Base-Base interactions energy: -2865.891 where: short stacking energy: -1106.816 Base-Backbone interact. energy: -0.672 local terms energy: -1050.593144 where: bonds (distance) C4'-P energy: -175.476 bonds (distance) P-C4' energy: -176.174 flat angles C4'-P-C4' energy: -228.831 flat angles P-C4'-P energy: -155.316 tors. eta vs tors. theta energy: -314.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3868.010480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3868.010480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3868.010480 (E_RNA) where: Base-Base interactions energy: -2851.281 where: short stacking energy: -1093.656 Base-Backbone interact. energy: -1.078 local terms energy: -1015.651238 where: bonds (distance) C4'-P energy: -170.631 bonds (distance) P-C4' energy: -178.047 flat angles C4'-P-C4' energy: -211.380 flat angles P-C4'-P energy: -145.132 tors. eta vs tors. theta energy: -310.461 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: 436 Temperature: 1.000000 Total energy: -3715.253136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3715.253136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3715.253136 (E_RNA) where: Base-Base interactions energy: -2742.903 where: short stacking energy: -1053.274 Base-Backbone interact. energy: 5.092 local terms energy: -977.442652 where: bonds (distance) C4'-P energy: -168.458 bonds (distance) P-C4' energy: -169.976 flat angles C4'-P-C4' energy: -204.138 flat angles P-C4'-P energy: -140.640 tors. eta vs tors. theta energy: -294.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -3685.711350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3685.711350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3685.711350 (E_RNA) where: Base-Base interactions energy: -2652.064 where: short stacking energy: -1011.941 Base-Backbone interact. energy: -3.214 local terms energy: -1030.433017 where: bonds (distance) C4'-P energy: -175.769 bonds (distance) P-C4' energy: -185.152 flat angles C4'-P-C4' energy: -221.614 flat angles P-C4'-P energy: -149.935 tors. eta vs tors. theta energy: -297.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -3602.174723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3602.174723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3602.174723 (E_RNA) where: Base-Base interactions energy: -2613.141 where: short stacking energy: -1010.732 Base-Backbone interact. energy: 0.825 local terms energy: -989.859100 where: bonds (distance) C4'-P energy: -167.161 bonds (distance) P-C4' energy: -154.847 flat angles C4'-P-C4' energy: -210.166 flat angles P-C4'-P energy: -156.960 tors. eta vs tors. theta energy: -300.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -3513.520755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3513.520755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3513.520755 (E_RNA) where: Base-Base interactions energy: -2580.657 where: short stacking energy: -1004.235 Base-Backbone interact. energy: 0.165 local terms energy: -933.028888 where: bonds (distance) C4'-P energy: -153.659 bonds (distance) P-C4' energy: -139.284 flat angles C4'-P-C4' energy: -208.003 flat angles P-C4'-P energy: -141.918 tors. eta vs tors. theta energy: -290.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -3479.294823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.294823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.294823 (E_RNA) where: Base-Base interactions energy: -2566.743 where: short stacking energy: -987.016 Base-Backbone interact. energy: 4.377 local terms energy: -916.929008 where: bonds (distance) C4'-P energy: -150.054 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -208.399 flat angles P-C4'-P energy: -140.383 tors. eta vs tors. theta energy: -289.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -3301.633435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.633435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.633435 (E_RNA) where: Base-Base interactions energy: -2439.257 where: short stacking energy: -952.399 Base-Backbone interact. energy: -2.650 local terms energy: -859.726301 where: bonds (distance) C4'-P energy: -153.729 bonds (distance) P-C4' energy: -145.747 flat angles C4'-P-C4' energy: -183.435 flat angles P-C4'-P energy: -100.667 tors. eta vs tors. theta energy: -276.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -3095.647034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.647034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.647034 (E_RNA) where: Base-Base interactions energy: -2219.601 where: short stacking energy: -870.597 Base-Backbone interact. energy: 4.085 local terms energy: -880.131186 where: bonds (distance) C4'-P energy: -153.084 bonds (distance) P-C4' energy: -157.754 flat angles C4'-P-C4' energy: -187.828 flat angles P-C4'-P energy: -124.521 tors. eta vs tors. theta energy: -256.945 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: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -2691.064346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.064346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.064346 (E_RNA) where: Base-Base interactions energy: -1960.613 where: short stacking energy: -762.145 Base-Backbone interact. energy: 2.790 local terms energy: -733.240651 where: bonds (distance) C4'-P energy: -141.180 bonds (distance) P-C4' energy: -142.327 flat angles C4'-P-C4' energy: -182.048 flat angles P-C4'-P energy: -97.407 tors. eta vs tors. theta energy: -170.279 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: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3887.513135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3887.513135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3887.513135 (E_RNA) where: Base-Base interactions energy: -2845.432 where: short stacking energy: -1074.677 Base-Backbone interact. energy: -1.204 local terms energy: -1040.877324 where: bonds (distance) C4'-P energy: -182.576 bonds (distance) P-C4' energy: -190.923 flat angles C4'-P-C4' energy: -213.346 flat angles P-C4'-P energy: -136.713 tors. eta vs tors. theta energy: -317.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3806.591095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3806.591095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3806.591095 (E_RNA) where: Base-Base interactions energy: -2778.450 where: short stacking energy: -1063.969 Base-Backbone interact. energy: -1.202 local terms energy: -1026.938869 where: bonds (distance) C4'-P energy: -173.943 bonds (distance) P-C4' energy: -181.627 flat angles C4'-P-C4' energy: -219.223 flat angles P-C4'-P energy: -144.314 tors. eta vs tors. theta energy: -307.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -3725.637420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3725.637420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3725.637420 (E_RNA) where: Base-Base interactions energy: -2721.937 where: short stacking energy: -1038.214 Base-Backbone interact. energy: -0.802 local terms energy: -1002.897857 where: bonds (distance) C4'-P energy: -153.861 bonds (distance) P-C4' energy: -173.028 flat angles C4'-P-C4' energy: -220.182 flat angles P-C4'-P energy: -156.789 tors. eta vs tors. theta energy: -299.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -3658.855377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3658.855377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3658.855377 (E_RNA) where: Base-Base interactions energy: -2664.272 where: short stacking energy: -1028.792 Base-Backbone interact. energy: -3.950 local terms energy: -990.632992 where: bonds (distance) C4'-P energy: -176.716 bonds (distance) P-C4' energy: -162.415 flat angles C4'-P-C4' energy: -210.989 flat angles P-C4'-P energy: -137.193 tors. eta vs tors. theta energy: -303.319 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: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -3549.644474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3549.644474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3549.644474 (E_RNA) where: Base-Base interactions energy: -2589.327 where: short stacking energy: -984.195 Base-Backbone interact. energy: 1.947 local terms energy: -962.264614 where: bonds (distance) C4'-P energy: -157.249 bonds (distance) P-C4' energy: -170.553 flat angles C4'-P-C4' energy: -203.122 flat angles P-C4'-P energy: -136.369 tors. eta vs tors. theta energy: -294.972 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: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -3497.964018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3497.964018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3497.964018 (E_RNA) where: Base-Base interactions energy: -2543.567 where: short stacking energy: -973.330 Base-Backbone interact. energy: -2.202 local terms energy: -952.194488 where: bonds (distance) C4'-P energy: -176.986 bonds (distance) P-C4' energy: -159.132 flat angles C4'-P-C4' energy: -197.676 flat angles P-C4'-P energy: -136.117 tors. eta vs tors. theta energy: -282.285 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: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -3483.288051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.288051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.288051 (E_RNA) where: Base-Base interactions energy: -2538.607 where: short stacking energy: -969.513 Base-Backbone interact. energy: 0.308 local terms energy: -944.988246 where: bonds (distance) C4'-P energy: -172.668 bonds (distance) P-C4' energy: -151.404 flat angles C4'-P-C4' energy: -200.978 flat angles P-C4'-P energy: -124.883 tors. eta vs tors. theta energy: -295.055 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: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -3276.906777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.906777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.906777 (E_RNA) where: Base-Base interactions energy: -2368.273 where: short stacking energy: -920.510 Base-Backbone interact. energy: 2.946 local terms energy: -911.580340 where: bonds (distance) C4'-P energy: -146.234 bonds (distance) P-C4' energy: -159.188 flat angles C4'-P-C4' energy: -207.746 flat angles P-C4'-P energy: -130.719 tors. eta vs tors. theta energy: -267.694 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: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -3072.416491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.416491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.416491 (E_RNA) where: Base-Base interactions energy: -2237.268 where: short stacking energy: -878.258 Base-Backbone interact. energy: 3.499 local terms energy: -838.647334 where: bonds (distance) C4'-P energy: -122.703 bonds (distance) P-C4' energy: -169.159 flat angles C4'-P-C4' energy: -175.372 flat angles P-C4'-P energy: -106.826 tors. eta vs tors. theta energy: -264.588 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: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -2698.023836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.023836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.023836 (E_RNA) where: Base-Base interactions energy: -1928.683 where: short stacking energy: -763.798 Base-Backbone interact. energy: 8.528 local terms energy: -777.869276 where: bonds (distance) C4'-P energy: -149.160 bonds (distance) P-C4' energy: -140.930 flat angles C4'-P-C4' energy: -166.150 flat angles P-C4'-P energy: -110.523 tors. eta vs tors. theta energy: -211.107 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: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3922.462842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3922.462842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3922.462842 (E_RNA) where: Base-Base interactions energy: -2872.155 where: short stacking energy: -1106.106 Base-Backbone interact. energy: -1.994 local terms energy: -1048.313997 where: bonds (distance) C4'-P energy: -189.394 bonds (distance) P-C4' energy: -189.508 flat angles C4'-P-C4' energy: -212.726 flat angles P-C4'-P energy: -139.590 tors. eta vs tors. theta energy: -317.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3820.984291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3820.984291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3820.984291 (E_RNA) where: Base-Base interactions energy: -2771.683 where: short stacking energy: -1052.995 Base-Backbone interact. energy: -2.049 local terms energy: -1047.252425 where: bonds (distance) C4'-P energy: -175.671 bonds (distance) P-C4' energy: -191.650 flat angles C4'-P-C4' energy: -218.008 flat angles P-C4'-P energy: -148.595 tors. eta vs tors. theta energy: -313.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -3760.041995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3760.041995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3760.041995 (E_RNA) where: Base-Base interactions energy: -2747.959 where: short stacking energy: -1062.178 Base-Backbone interact. energy: 1.926 local terms energy: -1014.009017 where: bonds (distance) C4'-P energy: -178.279 bonds (distance) P-C4' energy: -177.993 flat angles C4'-P-C4' energy: -220.611 flat angles P-C4'-P energy: -129.147 tors. eta vs tors. theta energy: -307.978 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: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -3656.253353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3656.253353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3656.253353 (E_RNA) where: Base-Base interactions energy: -2659.529 where: short stacking energy: -1008.999 Base-Backbone interact. energy: 0.289 local terms energy: -997.013256 where: bonds (distance) C4'-P energy: -173.471 bonds (distance) P-C4' energy: -182.297 flat angles C4'-P-C4' energy: -207.863 flat angles P-C4'-P energy: -135.362 tors. eta vs tors. theta energy: -298.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -3537.353025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3537.353025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3537.353025 (E_RNA) where: Base-Base interactions energy: -2581.440 where: short stacking energy: -1006.736 Base-Backbone interact. energy: 1.839 local terms energy: -957.751645 where: bonds (distance) C4'-P energy: -156.885 bonds (distance) P-C4' energy: -168.386 flat angles C4'-P-C4' energy: -215.451 flat angles P-C4'-P energy: -126.167 tors. eta vs tors. theta energy: -290.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -3510.188475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3510.188475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3510.188475 (E_RNA) where: Base-Base interactions energy: -2593.287 where: short stacking energy: -991.812 Base-Backbone interact. energy: 1.478 local terms energy: -918.379270 where: bonds (distance) C4'-P energy: -154.168 bonds (distance) P-C4' energy: -147.586 flat angles C4'-P-C4' energy: -202.874 flat angles P-C4'-P energy: -127.133 tors. eta vs tors. theta energy: -286.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -3462.360712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.360712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.360712 (E_RNA) where: Base-Base interactions energy: -2517.053 where: short stacking energy: -949.618 Base-Backbone interact. energy: 1.239 local terms energy: -946.546463 where: bonds (distance) C4'-P energy: -163.374 bonds (distance) P-C4' energy: -148.031 flat angles C4'-P-C4' energy: -196.916 flat angles P-C4'-P energy: -140.464 tors. eta vs tors. theta energy: -297.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -3309.854995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3309.854995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3309.854995 (E_RNA) where: Base-Base interactions energy: -2429.331 where: short stacking energy: -950.741 Base-Backbone interact. energy: 2.251 local terms energy: -882.775461 where: bonds (distance) C4'-P energy: -137.862 bonds (distance) P-C4' energy: -157.132 flat angles C4'-P-C4' energy: -198.124 flat angles P-C4'-P energy: -112.867 tors. eta vs tors. theta energy: -276.791 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: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -3006.197142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.197142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.197142 (E_RNA) where: Base-Base interactions energy: -2198.060 where: short stacking energy: -835.792 Base-Backbone interact. energy: -1.079 local terms energy: -807.057986 where: bonds (distance) C4'-P energy: -141.047 bonds (distance) P-C4' energy: -128.999 flat angles C4'-P-C4' energy: -175.570 flat angles P-C4'-P energy: -120.988 tors. eta vs tors. theta energy: -240.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -2732.515935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.515935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.515935 (E_RNA) where: Base-Base interactions energy: -1991.869 where: short stacking energy: -788.360 Base-Backbone interact. energy: -0.819 local terms energy: -739.827828 where: bonds (distance) C4'-P energy: -117.228 bonds (distance) P-C4' energy: -125.004 flat angles C4'-P-C4' energy: -175.990 flat angles P-C4'-P energy: -109.003 tors. eta vs tors. theta energy: -212.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3910.193121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3910.193121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3910.193121 (E_RNA) where: Base-Base interactions energy: -2889.039 where: short stacking energy: -1126.951 Base-Backbone interact. energy: -1.144 local terms energy: -1020.010315 where: bonds (distance) C4'-P energy: -157.759 bonds (distance) P-C4' energy: -168.086 flat angles C4'-P-C4' energy: -226.443 flat angles P-C4'-P energy: -138.647 tors. eta vs tors. theta energy: -329.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3829.414312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3829.414312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3829.414312 (E_RNA) where: Base-Base interactions energy: -2803.917 where: short stacking energy: -1071.780 Base-Backbone interact. energy: -3.624 local terms energy: -1021.873858 where: bonds (distance) C4'-P energy: -177.954 bonds (distance) P-C4' energy: -184.210 flat angles C4'-P-C4' energy: -203.872 flat angles P-C4'-P energy: -146.884 tors. eta vs tors. theta energy: -308.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -3733.115006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3733.115006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3733.115006 (E_RNA) where: Base-Base interactions energy: -2713.719 where: short stacking energy: -1048.303 Base-Backbone interact. energy: -1.572 local terms energy: -1017.823789 where: bonds (distance) C4'-P energy: -166.922 bonds (distance) P-C4' energy: -175.616 flat angles C4'-P-C4' energy: -218.677 flat angles P-C4'-P energy: -151.969 tors. eta vs tors. theta energy: -304.640 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: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -3671.006589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3671.006589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3671.006589 (E_RNA) where: Base-Base interactions energy: -2681.515 where: short stacking energy: -1031.229 Base-Backbone interact. energy: -1.191 local terms energy: -988.300619 where: bonds (distance) C4'-P energy: -170.580 bonds (distance) P-C4' energy: -158.064 flat angles C4'-P-C4' energy: -220.136 flat angles P-C4'-P energy: -140.627 tors. eta vs tors. theta energy: -298.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -3556.853357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3556.853357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3556.853357 (E_RNA) where: Base-Base interactions energy: -2587.874 where: short stacking energy: -995.019 Base-Backbone interact. energy: -2.313 local terms energy: -966.665414 where: bonds (distance) C4'-P energy: -157.843 bonds (distance) P-C4' energy: -174.784 flat angles C4'-P-C4' energy: -204.468 flat angles P-C4'-P energy: -136.169 tors. eta vs tors. theta energy: -293.401 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: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -3482.460368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.460368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.460368 (E_RNA) where: Base-Base interactions energy: -2557.823 where: short stacking energy: -986.599 Base-Backbone interact. energy: -1.400 local terms energy: -923.237378 where: bonds (distance) C4'-P energy: -177.563 bonds (distance) P-C4' energy: -146.157 flat angles C4'-P-C4' energy: -190.478 flat angles P-C4'-P energy: -125.372 tors. eta vs tors. theta energy: -283.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -3475.765028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3475.765028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3475.765028 (E_RNA) where: Base-Base interactions energy: -2547.823 where: short stacking energy: -969.686 Base-Backbone interact. energy: -0.790 local terms energy: -927.152402 where: bonds (distance) C4'-P energy: -146.402 bonds (distance) P-C4' energy: -149.962 flat angles C4'-P-C4' energy: -197.028 flat angles P-C4'-P energy: -138.653 tors. eta vs tors. theta energy: -295.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -3190.101819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.101819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.101819 (E_RNA) where: Base-Base interactions energy: -2346.631 where: short stacking energy: -922.957 Base-Backbone interact. energy: 0.183 local terms energy: -843.654107 where: bonds (distance) C4'-P energy: -125.346 bonds (distance) P-C4' energy: -154.574 flat angles C4'-P-C4' energy: -183.718 flat angles P-C4'-P energy: -111.280 tors. eta vs tors. theta energy: -268.735 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: 439 Temperature: 1.300000 Total energy: -2962.467560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.467560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.467560 (E_RNA) where: Base-Base interactions energy: -2160.483 where: short stacking energy: -827.333 Base-Backbone interact. energy: -3.549 local terms energy: -798.435343 where: bonds (distance) C4'-P energy: -152.856 bonds (distance) P-C4' energy: -133.048 flat angles C4'-P-C4' energy: -162.456 flat angles P-C4'-P energy: -117.521 tors. eta vs tors. theta energy: -232.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -2813.666725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.666725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.666725 (E_RNA) where: Base-Base interactions energy: -2014.077 where: short stacking energy: -782.480 Base-Backbone interact. energy: -1.433 local terms energy: -798.156694 where: bonds (distance) C4'-P energy: -160.963 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -157.263 flat angles P-C4'-P energy: -96.838 tors. eta vs tors. theta energy: -230.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3917.633548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3917.633548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3917.633548 (E_RNA) where: Base-Base interactions energy: -2863.092 where: short stacking energy: -1105.237 Base-Backbone interact. energy: 2.519 local terms energy: -1057.061188 where: bonds (distance) C4'-P energy: -167.824 bonds (distance) P-C4' energy: -195.622 flat angles C4'-P-C4' energy: -222.970 flat angles P-C4'-P energy: -153.359 tors. eta vs tors. theta energy: -317.286 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: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3854.303695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3854.303695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3854.303695 (E_RNA) where: Base-Base interactions energy: -2803.596 where: short stacking energy: -1082.277 Base-Backbone interact. energy: -1.392 local terms energy: -1049.315300 where: bonds (distance) C4'-P energy: -182.833 bonds (distance) P-C4' energy: -178.446 flat angles C4'-P-C4' energy: -221.628 flat angles P-C4'-P energy: -158.551 tors. eta vs tors. theta energy: -307.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -3705.590864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3705.590864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3705.590864 (E_RNA) where: Base-Base interactions energy: -2700.367 where: short stacking energy: -1049.176 Base-Backbone interact. energy: 4.531 local terms energy: -1009.755374 where: bonds (distance) C4'-P energy: -181.334 bonds (distance) P-C4' energy: -177.208 flat angles C4'-P-C4' energy: -205.157 flat angles P-C4'-P energy: -140.213 tors. eta vs tors. theta energy: -305.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -3657.429608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3657.429608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3657.429608 (E_RNA) where: Base-Base interactions energy: -2649.011 where: short stacking energy: -1026.352 Base-Backbone interact. energy: 0.130 local terms energy: -1008.548596 where: bonds (distance) C4'-P energy: -169.179 bonds (distance) P-C4' energy: -170.904 flat angles C4'-P-C4' energy: -213.951 flat angles P-C4'-P energy: -147.698 tors. eta vs tors. theta energy: -306.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -3558.488342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.488342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.488342 (E_RNA) where: Base-Base interactions energy: -2614.853 where: short stacking energy: -1006.202 Base-Backbone interact. energy: 1.336 local terms energy: -944.971131 where: bonds (distance) C4'-P energy: -154.184 bonds (distance) P-C4' energy: -155.229 flat angles C4'-P-C4' energy: -201.584 flat angles P-C4'-P energy: -151.258 tors. eta vs tors. theta energy: -282.717 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: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -3481.417242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.417242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.417242 (E_RNA) where: Base-Base interactions energy: -2553.604 where: short stacking energy: -999.747 Base-Backbone interact. energy: -1.135 local terms energy: -926.678269 where: bonds (distance) C4'-P energy: -152.215 bonds (distance) P-C4' energy: -145.439 flat angles C4'-P-C4' energy: -200.921 flat angles P-C4'-P energy: -133.577 tors. eta vs tors. theta energy: -294.527 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: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -3493.994174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3493.994174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3493.994174 (E_RNA) where: Base-Base interactions energy: -2587.312 where: short stacking energy: -987.146 Base-Backbone interact. energy: -2.231 local terms energy: -904.451076 where: bonds (distance) C4'-P energy: -145.222 bonds (distance) P-C4' energy: -138.926 flat angles C4'-P-C4' energy: -196.173 flat angles P-C4'-P energy: -125.212 tors. eta vs tors. theta energy: -298.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -3244.351069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.351069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.351069 (E_RNA) where: Base-Base interactions energy: -2377.722 where: short stacking energy: -935.243 Base-Backbone interact. energy: -2.342 local terms energy: -864.287959 where: bonds (distance) C4'-P energy: -126.364 bonds (distance) P-C4' energy: -148.236 flat angles C4'-P-C4' energy: -183.213 flat angles P-C4'-P energy: -129.613 tors. eta vs tors. theta energy: -276.863 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: 440 Temperature: 1.300000 Total energy: -2970.740223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.740223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.740223 (E_RNA) where: Base-Base interactions energy: -2162.247 where: short stacking energy: -838.213 Base-Backbone interact. energy: 3.647 local terms energy: -812.140253 where: bonds (distance) C4'-P energy: -135.933 bonds (distance) P-C4' energy: -151.891 flat angles C4'-P-C4' energy: -178.631 flat angles P-C4'-P energy: -105.905 tors. eta vs tors. theta energy: -239.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -2793.540544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.540544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.540544 (E_RNA) where: Base-Base interactions energy: -2019.214 where: short stacking energy: -779.000 Base-Backbone interact. energy: -0.543 local terms energy: -773.783583 where: bonds (distance) C4'-P energy: -137.670 bonds (distance) P-C4' energy: -158.554 flat angles C4'-P-C4' energy: -162.856 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -213.744 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: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3924.790002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3924.790002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3924.790002 (E_RNA) where: Base-Base interactions energy: -2868.637 where: short stacking energy: -1095.299 Base-Backbone interact. energy: -1.020 local terms energy: -1055.133395 where: bonds (distance) C4'-P energy: -191.280 bonds (distance) P-C4' energy: -182.691 flat angles C4'-P-C4' energy: -215.801 flat angles P-C4'-P energy: -149.023 tors. eta vs tors. theta energy: -316.338 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: 5 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3798.326572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3798.326572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3798.326572 (E_RNA) where: Base-Base interactions energy: -2757.267 where: short stacking energy: -1055.279 Base-Backbone interact. energy: 2.106 local terms energy: -1043.165591 where: bonds (distance) C4'-P energy: -179.923 bonds (distance) P-C4' energy: -189.440 flat angles C4'-P-C4' energy: -220.278 flat angles P-C4'-P energy: -149.246 tors. eta vs tors. theta energy: -304.278 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: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -3715.867362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3715.867362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3715.867362 (E_RNA) where: Base-Base interactions energy: -2735.588 where: short stacking energy: -1047.757 Base-Backbone interact. energy: -3.139 local terms energy: -977.140097 where: bonds (distance) C4'-P energy: -170.362 bonds (distance) P-C4' energy: -168.717 flat angles C4'-P-C4' energy: -206.131 flat angles P-C4'-P energy: -128.714 tors. eta vs tors. theta energy: -303.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -3576.365541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3576.365541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3576.365541 (E_RNA) where: Base-Base interactions energy: -2603.039 where: short stacking energy: -1023.574 Base-Backbone interact. energy: -1.582 local terms energy: -971.744166 where: bonds (distance) C4'-P energy: -167.296 bonds (distance) P-C4' energy: -158.281 flat angles C4'-P-C4' energy: -208.222 flat angles P-C4'-P energy: -138.282 tors. eta vs tors. theta energy: -299.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -3578.921656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3578.921656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3578.921656 (E_RNA) where: Base-Base interactions energy: -2624.350 where: short stacking energy: -988.936 Base-Backbone interact. energy: -0.766 local terms energy: -953.805661 where: bonds (distance) C4'-P energy: -171.181 bonds (distance) P-C4' energy: -170.817 flat angles C4'-P-C4' energy: -198.608 flat angles P-C4'-P energy: -129.448 tors. eta vs tors. theta energy: -283.752 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: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -3560.011375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3560.011375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3560.011375 (E_RNA) where: Base-Base interactions energy: -2624.581 where: short stacking energy: -1005.651 Base-Backbone interact. energy: -0.138 local terms energy: -935.292098 where: bonds (distance) C4'-P energy: -164.539 bonds (distance) P-C4' energy: -142.935 flat angles C4'-P-C4' energy: -204.609 flat angles P-C4'-P energy: -129.328 tors. eta vs tors. theta energy: -293.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -3421.050595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3421.050595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3421.050595 (E_RNA) where: Base-Base interactions energy: -2518.872 where: short stacking energy: -966.134 Base-Backbone interact. energy: 0.274 local terms energy: -902.453000 where: bonds (distance) C4'-P energy: -137.559 bonds (distance) P-C4' energy: -139.779 flat angles C4'-P-C4' energy: -199.794 flat angles P-C4'-P energy: -135.224 tors. eta vs tors. theta energy: -290.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -3169.052956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.052956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.052956 (E_RNA) where: Base-Base interactions energy: -2332.664 where: short stacking energy: -895.059 Base-Backbone interact. energy: -2.468 local terms energy: -833.920810 where: bonds (distance) C4'-P energy: -154.656 bonds (distance) P-C4' energy: -130.754 flat angles C4'-P-C4' energy: -175.543 flat angles P-C4'-P energy: -117.027 tors. eta vs tors. theta energy: -255.940 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: 441 Temperature: 1.300000 Total energy: -3009.653532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.653532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.653532 (E_RNA) where: Base-Base interactions energy: -2189.862 where: short stacking energy: -866.763 Base-Backbone interact. energy: 1.711 local terms energy: -821.501820 where: bonds (distance) C4'-P energy: -144.618 bonds (distance) P-C4' energy: -127.524 flat angles C4'-P-C4' energy: -169.237 flat angles P-C4'-P energy: -126.988 tors. eta vs tors. theta energy: -253.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -2727.003369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.003369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.003369 (E_RNA) where: Base-Base interactions energy: -1972.463 where: short stacking energy: -756.684 Base-Backbone interact. energy: -1.055 local terms energy: -753.485703 where: bonds (distance) C4'-P energy: -147.691 bonds (distance) P-C4' energy: -138.763 flat angles C4'-P-C4' energy: -162.847 flat angles P-C4'-P energy: -103.378 tors. eta vs tors. theta energy: -200.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3936.447615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3936.447615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3936.447615 (E_RNA) where: Base-Base interactions energy: -2872.679 where: short stacking energy: -1093.047 Base-Backbone interact. energy: -2.315 local terms energy: -1061.452752 where: bonds (distance) C4'-P energy: -181.475 bonds (distance) P-C4' energy: -189.618 flat angles C4'-P-C4' energy: -234.672 flat angles P-C4'-P energy: -139.495 tors. eta vs tors. theta energy: -316.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3794.514970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3794.514970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3794.514970 (E_RNA) where: Base-Base interactions energy: -2766.833 where: short stacking energy: -1079.426 Base-Backbone interact. energy: 1.428 local terms energy: -1029.110174 where: bonds (distance) C4'-P energy: -181.835 bonds (distance) P-C4' energy: -168.802 flat angles C4'-P-C4' energy: -213.319 flat angles P-C4'-P energy: -156.745 tors. eta vs tors. theta energy: -308.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -3700.586839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3700.586839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3700.586839 (E_RNA) where: Base-Base interactions energy: -2699.231 where: short stacking energy: -1042.867 Base-Backbone interact. energy: -1.963 local terms energy: -999.393054 where: bonds (distance) C4'-P energy: -175.411 bonds (distance) P-C4' energy: -175.921 flat angles C4'-P-C4' energy: -196.752 flat angles P-C4'-P energy: -147.907 tors. eta vs tors. theta energy: -303.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -3601.739767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3601.739767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3601.739767 (E_RNA) where: Base-Base interactions energy: -2633.707 where: short stacking energy: -1021.864 Base-Backbone interact. energy: 1.843 local terms energy: -969.875474 where: bonds (distance) C4'-P energy: -173.493 bonds (distance) P-C4' energy: -157.712 flat angles C4'-P-C4' energy: -208.529 flat angles P-C4'-P energy: -139.915 tors. eta vs tors. theta energy: -290.227 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: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -3594.491065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3594.491065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3594.491065 (E_RNA) where: Base-Base interactions energy: -2567.489 where: short stacking energy: -981.557 Base-Backbone interact. energy: 2.721 local terms energy: -1029.723106 where: bonds (distance) C4'-P energy: -175.543 bonds (distance) P-C4' energy: -184.877 flat angles C4'-P-C4' energy: -218.911 flat angles P-C4'-P energy: -156.401 tors. eta vs tors. theta energy: -293.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -3488.978068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.978068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.978068 (E_RNA) where: Base-Base interactions energy: -2605.344 where: short stacking energy: -1000.887 Base-Backbone interact. energy: 3.674 local terms energy: -887.308259 where: bonds (distance) C4'-P energy: -160.827 bonds (distance) P-C4' energy: -135.808 flat angles C4'-P-C4' energy: -190.305 flat angles P-C4'-P energy: -116.702 tors. eta vs tors. theta energy: -283.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -3448.217407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.217407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.217407 (E_RNA) where: Base-Base interactions energy: -2536.248 where: short stacking energy: -993.373 Base-Backbone interact. energy: 1.751 local terms energy: -913.720786 where: bonds (distance) C4'-P energy: -151.886 bonds (distance) P-C4' energy: -145.080 flat angles C4'-P-C4' energy: -198.145 flat angles P-C4'-P energy: -127.018 tors. eta vs tors. theta energy: -291.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -3149.438156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.438156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.438156 (E_RNA) where: Base-Base interactions energy: -2261.746 where: short stacking energy: -883.318 Base-Backbone interact. energy: 3.566 local terms energy: -891.257668 where: bonds (distance) C4'-P energy: -167.437 bonds (distance) P-C4' energy: -153.856 flat angles C4'-P-C4' energy: -180.574 flat angles P-C4'-P energy: -139.480 tors. eta vs tors. theta energy: -249.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -3033.641810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.641810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.641810 (E_RNA) where: Base-Base interactions energy: -2217.831 where: short stacking energy: -861.183 Base-Backbone interact. energy: -3.241 local terms energy: -812.569772 where: bonds (distance) C4'-P energy: -130.326 bonds (distance) P-C4' energy: -131.903 flat angles C4'-P-C4' energy: -181.754 flat angles P-C4'-P energy: -119.088 tors. eta vs tors. theta energy: -249.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -2719.561178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.561178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.561178 (E_RNA) where: Base-Base interactions energy: -1943.107 where: short stacking energy: -768.497 Base-Backbone interact. energy: 2.447 local terms energy: -778.901220 where: bonds (distance) C4'-P energy: -135.968 bonds (distance) P-C4' energy: -149.943 flat angles C4'-P-C4' energy: -188.035 flat angles P-C4'-P energy: -102.436 tors. eta vs tors. theta energy: -202.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3916.464463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3916.464463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3916.464463 (E_RNA) where: Base-Base interactions energy: -2848.586 where: short stacking energy: -1103.844 Base-Backbone interact. energy: -0.014 local terms energy: -1067.864684 where: bonds (distance) C4'-P energy: -185.034 bonds (distance) P-C4' energy: -196.818 flat angles C4'-P-C4' energy: -217.076 flat angles P-C4'-P energy: -154.468 tors. eta vs tors. theta energy: -314.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3821.381761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3821.381761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3821.381761 (E_RNA) where: Base-Base interactions energy: -2808.749 where: short stacking energy: -1075.874 Base-Backbone interact. energy: 1.728 local terms energy: -1014.360700 where: bonds (distance) C4'-P energy: -175.862 bonds (distance) P-C4' energy: -178.414 flat angles C4'-P-C4' energy: -223.050 flat angles P-C4'-P energy: -135.655 tors. eta vs tors. theta energy: -301.379 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: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -3712.287202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3712.287202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3712.287202 (E_RNA) where: Base-Base interactions energy: -2696.465 where: short stacking energy: -1035.476 Base-Backbone interact. energy: -1.795 local terms energy: -1014.027162 where: bonds (distance) C4'-P energy: -176.664 bonds (distance) P-C4' energy: -155.510 flat angles C4'-P-C4' energy: -218.757 flat angles P-C4'-P energy: -150.669 tors. eta vs tors. theta energy: -312.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -3644.512553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3644.512553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3644.512553 (E_RNA) where: Base-Base interactions energy: -2665.650 where: short stacking energy: -1023.685 Base-Backbone interact. energy: -0.020 local terms energy: -978.842201 where: bonds (distance) C4'-P energy: -178.581 bonds (distance) P-C4' energy: -161.450 flat angles C4'-P-C4' energy: -211.925 flat angles P-C4'-P energy: -138.806 tors. eta vs tors. theta energy: -288.081 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: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -3552.820291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3552.820291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3552.820291 (E_RNA) where: Base-Base interactions energy: -2580.860 where: short stacking energy: -990.112 Base-Backbone interact. energy: -1.209 local terms energy: -970.751171 where: bonds (distance) C4'-P energy: -162.956 bonds (distance) P-C4' energy: -175.395 flat angles C4'-P-C4' energy: -201.404 flat angles P-C4'-P energy: -137.587 tors. eta vs tors. theta energy: -293.410 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: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -3518.984012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3518.984012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3518.984012 (E_RNA) where: Base-Base interactions energy: -2568.142 where: short stacking energy: -999.817 Base-Backbone interact. energy: -4.250 local terms energy: -946.591788 where: bonds (distance) C4'-P energy: -134.840 bonds (distance) P-C4' energy: -175.169 flat angles C4'-P-C4' energy: -208.183 flat angles P-C4'-P energy: -132.257 tors. eta vs tors. theta energy: -296.143 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: 10 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -3458.326057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.326057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.326057 (E_RNA) where: Base-Base interactions energy: -2548.398 where: short stacking energy: -967.569 Base-Backbone interact. energy: -2.829 local terms energy: -907.099017 where: bonds (distance) C4'-P energy: -152.483 bonds (distance) P-C4' energy: -141.828 flat angles C4'-P-C4' energy: -198.779 flat angles P-C4'-P energy: -132.020 tors. eta vs tors. theta energy: -281.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -3256.248398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.248398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.248398 (E_RNA) where: Base-Base interactions energy: -2376.658 where: short stacking energy: -889.686 Base-Backbone interact. energy: -1.510 local terms energy: -878.080396 where: bonds (distance) C4'-P energy: -141.808 bonds (distance) P-C4' energy: -163.902 flat angles C4'-P-C4' energy: -193.044 flat angles P-C4'-P energy: -129.658 tors. eta vs tors. theta energy: -249.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -3049.134525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.134525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.134525 (E_RNA) where: Base-Base interactions energy: -2217.245 where: short stacking energy: -865.315 Base-Backbone interact. energy: -0.624 local terms energy: -831.265774 where: bonds (distance) C4'-P energy: -133.564 bonds (distance) P-C4' energy: -136.083 flat angles C4'-P-C4' energy: -188.696 flat angles P-C4'-P energy: -115.044 tors. eta vs tors. theta energy: -257.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -2788.209404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.209404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.209404 (E_RNA) where: Base-Base interactions energy: -2013.206 where: short stacking energy: -772.145 Base-Backbone interact. energy: -1.998 local terms energy: -773.005183 where: bonds (distance) C4'-P energy: -149.230 bonds (distance) P-C4' energy: -127.035 flat angles C4'-P-C4' energy: -165.631 flat angles P-C4'-P energy: -115.810 tors. eta vs tors. theta energy: -215.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3919.709551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3919.709551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3919.709551 (E_RNA) where: Base-Base interactions energy: -2879.854 where: short stacking energy: -1119.194 Base-Backbone interact. energy: -2.014 local terms energy: -1037.841602 where: bonds (distance) C4'-P energy: -182.346 bonds (distance) P-C4' energy: -169.498 flat angles C4'-P-C4' energy: -207.187 flat angles P-C4'-P energy: -156.159 tors. eta vs tors. theta energy: -322.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3806.313473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3806.313473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3806.313473 (E_RNA) where: Base-Base interactions energy: -2771.484 where: short stacking energy: -1083.691 Base-Backbone interact. energy: -1.723 local terms energy: -1033.107287 where: bonds (distance) C4'-P energy: -191.678 bonds (distance) P-C4' energy: -179.704 flat angles C4'-P-C4' energy: -216.778 flat angles P-C4'-P energy: -131.606 tors. eta vs tors. theta energy: -313.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -3737.601862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3737.601862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3737.601862 (E_RNA) where: Base-Base interactions energy: -2713.669 where: short stacking energy: -1059.443 Base-Backbone interact. energy: 2.219 local terms energy: -1026.152076 where: bonds (distance) C4'-P energy: -176.870 bonds (distance) P-C4' energy: -183.610 flat angles C4'-P-C4' energy: -203.261 flat angles P-C4'-P energy: -151.640 tors. eta vs tors. theta energy: -310.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -3644.304518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3644.304518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3644.304518 (E_RNA) where: Base-Base interactions energy: -2665.065 where: short stacking energy: -1020.735 Base-Backbone interact. energy: 3.095 local terms energy: -982.334861 where: bonds (distance) C4'-P energy: -158.928 bonds (distance) P-C4' energy: -187.242 flat angles C4'-P-C4' energy: -213.524 flat angles P-C4'-P energy: -131.714 tors. eta vs tors. theta energy: -290.927 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: 444 Temperature: 1.100000 Total energy: -3546.270999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3546.270999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3546.270999 (E_RNA) where: Base-Base interactions energy: -2595.831 where: short stacking energy: -999.453 Base-Backbone interact. energy: 0.907 local terms energy: -951.347170 where: bonds (distance) C4'-P energy: -156.109 bonds (distance) P-C4' energy: -157.731 flat angles C4'-P-C4' energy: -217.409 flat angles P-C4'-P energy: -132.369 tors. eta vs tors. theta energy: -287.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -3477.741215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.741215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.741215 (E_RNA) where: Base-Base interactions energy: -2538.196 where: short stacking energy: -957.199 Base-Backbone interact. energy: -1.970 local terms energy: -937.575462 where: bonds (distance) C4'-P energy: -160.516 bonds (distance) P-C4' energy: -168.898 flat angles C4'-P-C4' energy: -194.543 flat angles P-C4'-P energy: -125.222 tors. eta vs tors. theta energy: -288.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -3468.955053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.955053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.955053 (E_RNA) where: Base-Base interactions energy: -2571.274 where: short stacking energy: -964.156 Base-Backbone interact. energy: -2.530 local terms energy: -895.151255 where: bonds (distance) C4'-P energy: -145.960 bonds (distance) P-C4' energy: -147.687 flat angles C4'-P-C4' energy: -199.459 flat angles P-C4'-P energy: -127.126 tors. eta vs tors. theta energy: -274.919 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: 444 Temperature: 1.250000 Total energy: -3190.086598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.086598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.086598 (E_RNA) where: Base-Base interactions energy: -2300.800 where: short stacking energy: -887.881 Base-Backbone interact. energy: 2.730 local terms energy: -892.016075 where: bonds (distance) C4'-P energy: -142.416 bonds (distance) P-C4' energy: -165.227 flat angles C4'-P-C4' energy: -194.772 flat angles P-C4'-P energy: -116.658 tors. eta vs tors. theta energy: -272.943 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: 444 Temperature: 1.300000 Total energy: -3103.798904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.798904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.798904 (E_RNA) where: Base-Base interactions energy: -2261.486 where: short stacking energy: -869.089 Base-Backbone interact. energy: 1.011 local terms energy: -843.323785 where: bonds (distance) C4'-P energy: -143.879 bonds (distance) P-C4' energy: -139.557 flat angles C4'-P-C4' energy: -195.806 flat angles P-C4'-P energy: -109.509 tors. eta vs tors. theta energy: -254.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -2585.321226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.321226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.321226 (E_RNA) where: Base-Base interactions energy: -1858.463 where: short stacking energy: -720.291 Base-Backbone interact. energy: 3.461 local terms energy: -730.319275 where: bonds (distance) C4'-P energy: -127.562 bonds (distance) P-C4' energy: -137.044 flat angles C4'-P-C4' energy: -177.843 flat angles P-C4'-P energy: -98.699 tors. eta vs tors. theta energy: -189.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3930.352940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3930.352940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3930.352940 (E_RNA) where: Base-Base interactions energy: -2855.882 where: short stacking energy: -1106.548 Base-Backbone interact. energy: -0.364 local terms energy: -1074.107366 where: bonds (distance) C4'-P energy: -186.759 bonds (distance) P-C4' energy: -189.432 flat angles C4'-P-C4' energy: -217.651 flat angles P-C4'-P energy: -158.869 tors. eta vs tors. theta energy: -321.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3793.416475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3793.416475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3793.416475 (E_RNA) where: Base-Base interactions energy: -2767.664 where: short stacking energy: -1079.480 Base-Backbone interact. energy: -0.087 local terms energy: -1025.665526 where: bonds (distance) C4'-P energy: -176.024 bonds (distance) P-C4' energy: -187.598 flat angles C4'-P-C4' energy: -215.892 flat angles P-C4'-P energy: -142.533 tors. eta vs tors. theta energy: -303.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -3730.711112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3730.711112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3730.711112 (E_RNA) where: Base-Base interactions energy: -2736.842 where: short stacking energy: -1044.600 Base-Backbone interact. energy: -3.786 local terms energy: -990.083497 where: bonds (distance) C4'-P energy: -159.654 bonds (distance) P-C4' energy: -171.214 flat angles C4'-P-C4' energy: -214.581 flat angles P-C4'-P energy: -153.043 tors. eta vs tors. theta energy: -291.592 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: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -3626.483541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3626.483541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3626.483541 (E_RNA) where: Base-Base interactions energy: -2653.857 where: short stacking energy: -1022.455 Base-Backbone interact. energy: -0.440 local terms energy: -972.187229 where: bonds (distance) C4'-P energy: -146.730 bonds (distance) P-C4' energy: -170.236 flat angles C4'-P-C4' energy: -219.977 flat angles P-C4'-P energy: -136.663 tors. eta vs tors. theta energy: -298.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -3537.230331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3537.230331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3537.230331 (E_RNA) where: Base-Base interactions energy: -2584.185 where: short stacking energy: -995.059 Base-Backbone interact. energy: 0.674 local terms energy: -953.720041 where: bonds (distance) C4'-P energy: -159.300 bonds (distance) P-C4' energy: -162.801 flat angles C4'-P-C4' energy: -205.875 flat angles P-C4'-P energy: -129.938 tors. eta vs tors. theta energy: -295.806 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: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -3518.322536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3518.322536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3518.322536 (E_RNA) where: Base-Base interactions energy: -2582.795 where: short stacking energy: -993.497 Base-Backbone interact. energy: -1.066 local terms energy: -934.461045 where: bonds (distance) C4'-P energy: -146.990 bonds (distance) P-C4' energy: -165.447 flat angles C4'-P-C4' energy: -196.146 flat angles P-C4'-P energy: -134.940 tors. eta vs tors. theta energy: -290.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -3432.686806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3432.686806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3432.686806 (E_RNA) where: Base-Base interactions energy: -2509.086 where: short stacking energy: -949.848 Base-Backbone interact. energy: -0.757 local terms energy: -922.843714 where: bonds (distance) C4'-P energy: -152.515 bonds (distance) P-C4' energy: -152.269 flat angles C4'-P-C4' energy: -193.987 flat angles P-C4'-P energy: -137.376 tors. eta vs tors. theta energy: -286.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -3216.019372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.019372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.019372 (E_RNA) where: Base-Base interactions energy: -2357.619 where: short stacking energy: -897.945 Base-Backbone interact. energy: -0.981 local terms energy: -857.419205 where: bonds (distance) C4'-P energy: -158.315 bonds (distance) P-C4' energy: -138.013 flat angles C4'-P-C4' energy: -182.957 flat angles P-C4'-P energy: -126.180 tors. eta vs tors. theta energy: -251.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -3083.807112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.807112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.807112 (E_RNA) where: Base-Base interactions energy: -2216.581 where: short stacking energy: -855.728 Base-Backbone interact. energy: 0.252 local terms energy: -867.477958 where: bonds (distance) C4'-P energy: -155.427 bonds (distance) P-C4' energy: -168.430 flat angles C4'-P-C4' energy: -177.618 flat angles P-C4'-P energy: -112.442 tors. eta vs tors. theta energy: -253.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -2619.941057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.941057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.941057 (E_RNA) where: Base-Base interactions energy: -1860.595 where: short stacking energy: -722.115 Base-Backbone interact. energy: -2.504 local terms energy: -756.842042 where: bonds (distance) C4'-P energy: -157.859 bonds (distance) P-C4' energy: -140.972 flat angles C4'-P-C4' energy: -164.246 flat angles P-C4'-P energy: -103.198 tors. eta vs tors. theta energy: -190.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3850.822763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3850.822763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3850.822763 (E_RNA) where: Base-Base interactions energy: -2786.217 where: short stacking energy: -1083.912 Base-Backbone interact. energy: -1.196 local terms energy: -1063.410088 where: bonds (distance) C4'-P energy: -188.181 bonds (distance) P-C4' energy: -188.745 flat angles C4'-P-C4' energy: -209.811 flat angles P-C4'-P energy: -161.331 tors. eta vs tors. theta energy: -315.342 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: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3875.872680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3875.872680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3875.872680 (E_RNA) where: Base-Base interactions energy: -2858.154 where: short stacking energy: -1082.587 Base-Backbone interact. energy: 0.259 local terms energy: -1017.977776 where: bonds (distance) C4'-P energy: -175.865 bonds (distance) P-C4' energy: -174.752 flat angles C4'-P-C4' energy: -222.622 flat angles P-C4'-P energy: -137.756 tors. eta vs tors. theta energy: -306.984 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: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -3719.642723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3719.642723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3719.642723 (E_RNA) where: Base-Base interactions energy: -2725.470 where: short stacking energy: -1045.115 Base-Backbone interact. energy: -1.521 local terms energy: -992.650929 where: bonds (distance) C4'-P energy: -163.063 bonds (distance) P-C4' energy: -169.671 flat angles C4'-P-C4' energy: -206.939 flat angles P-C4'-P energy: -154.504 tors. eta vs tors. theta energy: -298.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -3641.924522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3641.924522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3641.924522 (E_RNA) where: Base-Base interactions energy: -2652.829 where: short stacking energy: -1029.267 Base-Backbone interact. energy: 1.623 local terms energy: -990.718921 where: bonds (distance) C4'-P energy: -152.577 bonds (distance) P-C4' energy: -177.447 flat angles C4'-P-C4' energy: -207.271 flat angles P-C4'-P energy: -153.833 tors. eta vs tors. theta energy: -299.591 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: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -3561.950485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3561.950485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3561.950485 (E_RNA) where: Base-Base interactions energy: -2601.311 where: short stacking energy: -980.382 Base-Backbone interact. energy: 0.072 local terms energy: -960.711338 where: bonds (distance) C4'-P energy: -162.132 bonds (distance) P-C4' energy: -166.834 flat angles C4'-P-C4' energy: -210.699 flat angles P-C4'-P energy: -126.427 tors. eta vs tors. theta energy: -294.620 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: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -3450.760055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.760055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.760055 (E_RNA) where: Base-Base interactions energy: -2533.841 where: short stacking energy: -969.953 Base-Backbone interact. energy: -2.377 local terms energy: -914.541595 where: bonds (distance) C4'-P energy: -151.537 bonds (distance) P-C4' energy: -143.514 flat angles C4'-P-C4' energy: -195.168 flat angles P-C4'-P energy: -129.913 tors. eta vs tors. theta energy: -294.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -3446.553310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3446.553310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3446.553310 (E_RNA) where: Base-Base interactions energy: -2531.385 where: short stacking energy: -968.644 Base-Backbone interact. energy: -2.217 local terms energy: -912.951305 where: bonds (distance) C4'-P energy: -150.133 bonds (distance) P-C4' energy: -144.868 flat angles C4'-P-C4' energy: -199.089 flat angles P-C4'-P energy: -134.544 tors. eta vs tors. theta energy: -284.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -3198.900519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.900519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.900519 (E_RNA) where: Base-Base interactions energy: -2346.562 where: short stacking energy: -898.522 Base-Backbone interact. energy: -0.537 local terms energy: -851.801374 where: bonds (distance) C4'-P energy: -145.041 bonds (distance) P-C4' energy: -151.497 flat angles C4'-P-C4' energy: -173.579 flat angles P-C4'-P energy: -115.919 tors. eta vs tors. theta energy: -265.765 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: 2 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -3010.058965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.058965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.058965 (E_RNA) where: Base-Base interactions energy: -2170.294 where: short stacking energy: -815.804 Base-Backbone interact. energy: 1.161 local terms energy: -840.925513 where: bonds (distance) C4'-P energy: -164.558 bonds (distance) P-C4' energy: -125.248 flat angles C4'-P-C4' energy: -186.213 flat angles P-C4'-P energy: -129.380 tors. eta vs tors. theta energy: -235.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -2691.657869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.657869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.657869 (E_RNA) where: Base-Base interactions energy: -1974.357 where: short stacking energy: -784.569 Base-Backbone interact. energy: -1.507 local terms energy: -715.794029 where: bonds (distance) C4'-P energy: -127.556 bonds (distance) P-C4' energy: -105.337 flat angles C4'-P-C4' energy: -160.465 flat angles P-C4'-P energy: -100.121 tors. eta vs tors. theta energy: -222.315 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: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3869.714629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3869.714629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3869.714629 (E_RNA) where: Base-Base interactions energy: -2812.777 where: short stacking energy: -1074.100 Base-Backbone interact. energy: -0.399 local terms energy: -1056.538926 where: bonds (distance) C4'-P energy: -188.295 bonds (distance) P-C4' energy: -192.026 flat angles C4'-P-C4' energy: -223.482 flat angles P-C4'-P energy: -144.322 tors. eta vs tors. theta energy: -308.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3842.469230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3842.469230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3842.469230 (E_RNA) where: Base-Base interactions energy: -2818.373 where: short stacking energy: -1065.565 Base-Backbone interact. energy: -2.678 local terms energy: -1021.418332 where: bonds (distance) C4'-P energy: -169.611 bonds (distance) P-C4' energy: -178.890 flat angles C4'-P-C4' energy: -203.565 flat angles P-C4'-P energy: -157.113 tors. eta vs tors. theta energy: -312.240 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: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -3714.735914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3714.735914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3714.735914 (E_RNA) where: Base-Base interactions energy: -2720.190 where: short stacking energy: -1058.518 Base-Backbone interact. energy: -0.313 local terms energy: -994.232331 where: bonds (distance) C4'-P energy: -147.129 bonds (distance) P-C4' energy: -185.099 flat angles C4'-P-C4' energy: -214.332 flat angles P-C4'-P energy: -142.011 tors. eta vs tors. theta energy: -305.662 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: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -3631.190329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3631.190329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3631.190329 (E_RNA) where: Base-Base interactions energy: -2648.155 where: short stacking energy: -1017.305 Base-Backbone interact. energy: -1.249 local terms energy: -981.785834 where: bonds (distance) C4'-P energy: -155.264 bonds (distance) P-C4' energy: -168.382 flat angles C4'-P-C4' energy: -217.078 flat angles P-C4'-P energy: -142.225 tors. eta vs tors. theta energy: -298.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -3601.647949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3601.647949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3601.647949 (E_RNA) where: Base-Base interactions energy: -2646.911 where: short stacking energy: -1037.261 Base-Backbone interact. energy: 3.354 local terms energy: -958.090744 where: bonds (distance) C4'-P energy: -169.126 bonds (distance) P-C4' energy: -178.073 flat angles C4'-P-C4' energy: -200.762 flat angles P-C4'-P energy: -117.906 tors. eta vs tors. theta energy: -292.224 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: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -3478.811340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3478.811340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3478.811340 (E_RNA) where: Base-Base interactions energy: -2580.982 where: short stacking energy: -979.577 Base-Backbone interact. energy: -1.465 local terms energy: -896.364823 where: bonds (distance) C4'-P energy: -155.171 bonds (distance) P-C4' energy: -133.278 flat angles C4'-P-C4' energy: -178.526 flat angles P-C4'-P energy: -131.471 tors. eta vs tors. theta energy: -297.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -3444.688916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.688916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.688916 (E_RNA) where: Base-Base interactions energy: -2538.534 where: short stacking energy: -962.380 Base-Backbone interact. energy: -1.044 local terms energy: -905.111388 where: bonds (distance) C4'-P energy: -134.318 bonds (distance) P-C4' energy: -155.308 flat angles C4'-P-C4' energy: -190.522 flat angles P-C4'-P energy: -136.993 tors. eta vs tors. theta energy: -287.970 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: 447 Temperature: 1.250000 Total energy: -3189.060829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.060829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.060829 (E_RNA) where: Base-Base interactions energy: -2317.208 where: short stacking energy: -878.346 Base-Backbone interact. energy: 1.082 local terms energy: -872.934879 where: bonds (distance) C4'-P energy: -169.769 bonds (distance) P-C4' energy: -142.910 flat angles C4'-P-C4' energy: -196.136 flat angles P-C4'-P energy: -111.678 tors. eta vs tors. theta energy: -252.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -3007.944990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.944990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.944990 (E_RNA) where: Base-Base interactions energy: -2179.120 where: short stacking energy: -845.600 Base-Backbone interact. energy: -1.205 local terms energy: -827.620395 where: bonds (distance) C4'-P energy: -134.160 bonds (distance) P-C4' energy: -158.372 flat angles C4'-P-C4' energy: -181.976 flat angles P-C4'-P energy: -108.320 tors. eta vs tors. theta energy: -244.791 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: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -2663.021328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.021328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.021328 (E_RNA) where: Base-Base interactions energy: -1893.113 where: short stacking energy: -763.292 Base-Backbone interact. energy: 2.526 local terms energy: -772.434099 where: bonds (distance) C4'-P energy: -142.206 bonds (distance) P-C4' energy: -131.380 flat angles C4'-P-C4' energy: -162.802 flat angles P-C4'-P energy: -113.194 tors. eta vs tors. theta energy: -222.852 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: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3849.117077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3849.117077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3849.117077 (E_RNA) where: Base-Base interactions energy: -2806.415 where: short stacking energy: -1095.612 Base-Backbone interact. energy: 1.173 local terms energy: -1043.874650 where: bonds (distance) C4'-P energy: -181.151 bonds (distance) P-C4' energy: -176.895 flat angles C4'-P-C4' energy: -220.932 flat angles P-C4'-P energy: -155.911 tors. eta vs tors. theta energy: -308.987 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: 1 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3816.212927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3816.212927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3816.212927 (E_RNA) where: Base-Base interactions energy: -2800.099 where: short stacking energy: -1080.665 Base-Backbone interact. energy: 0.548 local terms energy: -1016.662195 where: bonds (distance) C4'-P energy: -179.988 bonds (distance) P-C4' energy: -171.586 flat angles C4'-P-C4' energy: -212.263 flat angles P-C4'-P energy: -144.151 tors. eta vs tors. theta energy: -308.674 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: 3, replica: 3 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -3769.414439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3769.414439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3769.414439 (E_RNA) where: Base-Base interactions energy: -2732.059 where: short stacking energy: -1063.910 Base-Backbone interact. energy: -2.306 local terms energy: -1035.049789 where: bonds (distance) C4'-P energy: -182.437 bonds (distance) P-C4' energy: -185.638 flat angles C4'-P-C4' energy: -207.733 flat angles P-C4'-P energy: -143.364 tors. eta vs tors. theta energy: -315.877 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: 4, replica: 9 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -3614.755483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.755483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.755483 (E_RNA) where: Base-Base interactions energy: -2615.621 where: short stacking energy: -1005.553 Base-Backbone interact. energy: 0.042 local terms energy: -999.176341 where: bonds (distance) C4'-P energy: -176.514 bonds (distance) P-C4' energy: -166.922 flat angles C4'-P-C4' energy: -221.060 flat angles P-C4'-P energy: -142.146 tors. eta vs tors. theta energy: -292.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -3618.670261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3618.670261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3618.670261 (E_RNA) where: Base-Base interactions energy: -2651.585 where: short stacking energy: -1025.175 Base-Backbone interact. energy: 4.530 local terms energy: -971.614956 where: bonds (distance) C4'-P energy: -158.104 bonds (distance) P-C4' energy: -163.836 flat angles C4'-P-C4' energy: -204.675 flat angles P-C4'-P energy: -142.086 tors. eta vs tors. theta energy: -302.913 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: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -3502.259974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3502.259974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3502.259974 (E_RNA) where: Base-Base interactions energy: -2604.352 where: short stacking energy: -1008.882 Base-Backbone interact. energy: 2.923 local terms energy: -900.830692 where: bonds (distance) C4'-P energy: -150.734 bonds (distance) P-C4' energy: -155.433 flat angles C4'-P-C4' energy: -186.164 flat angles P-C4'-P energy: -122.901 tors. eta vs tors. theta energy: -285.599 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: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -3390.566448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3390.566448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3390.566448 (E_RNA) where: Base-Base interactions energy: -2500.231 where: short stacking energy: -949.718 Base-Backbone interact. energy: -3.464 local terms energy: -886.870837 where: bonds (distance) C4'-P energy: -146.813 bonds (distance) P-C4' energy: -141.090 flat angles C4'-P-C4' energy: -185.663 flat angles P-C4'-P energy: -127.291 tors. eta vs tors. theta energy: -286.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -3193.593629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.593629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.593629 (E_RNA) where: Base-Base interactions energy: -2329.575 where: short stacking energy: -908.592 Base-Backbone interact. energy: -1.693 local terms energy: -862.326164 where: bonds (distance) C4'-P energy: -156.148 bonds (distance) P-C4' energy: -132.048 flat angles C4'-P-C4' energy: -190.429 flat angles P-C4'-P energy: -107.630 tors. eta vs tors. theta energy: -276.072 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: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -2991.972986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.972986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.972986 (E_RNA) where: Base-Base interactions energy: -2151.785 where: short stacking energy: -850.763 Base-Backbone interact. energy: 0.295 local terms energy: -840.483469 where: bonds (distance) C4'-P energy: -139.170 bonds (distance) P-C4' energy: -138.039 flat angles C4'-P-C4' energy: -170.781 flat angles P-C4'-P energy: -139.006 tors. eta vs tors. theta energy: -253.487 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: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -2678.877215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.877215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.877215 (E_RNA) where: Base-Base interactions energy: -1942.590 where: short stacking energy: -754.768 Base-Backbone interact. energy: 2.685 local terms energy: -738.972350 where: bonds (distance) C4'-P energy: -154.041 bonds (distance) P-C4' energy: -122.855 flat angles C4'-P-C4' energy: -170.771 flat angles P-C4'-P energy: -94.673 tors. eta vs tors. theta energy: -196.632 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: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3865.477993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3865.477993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3865.477993 (E_RNA) where: Base-Base interactions energy: -2815.991 where: short stacking energy: -1096.709 Base-Backbone interact. energy: -1.618 local terms energy: -1047.868943 where: bonds (distance) C4'-P energy: -178.223 bonds (distance) P-C4' energy: -174.933 flat angles C4'-P-C4' energy: -227.515 flat angles P-C4'-P energy: -149.889 tors. eta vs tors. theta energy: -317.309 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: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3828.317657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3828.317657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3828.317657 (E_RNA) where: Base-Base interactions energy: -2785.531 where: short stacking energy: -1083.413 Base-Backbone interact. energy: -1.127 local terms energy: -1041.659508 where: bonds (distance) C4'-P energy: -178.156 bonds (distance) P-C4' energy: -188.485 flat angles C4'-P-C4' energy: -214.273 flat angles P-C4'-P energy: -153.372 tors. eta vs tors. theta energy: -307.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -3731.970584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3731.970584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3731.970584 (E_RNA) where: Base-Base interactions energy: -2730.798 where: short stacking energy: -1036.644 Base-Backbone interact. energy: -2.061 local terms energy: -999.111008 where: bonds (distance) C4'-P energy: -150.072 bonds (distance) P-C4' energy: -191.132 flat angles C4'-P-C4' energy: -202.112 flat angles P-C4'-P energy: -143.253 tors. eta vs tors. theta energy: -312.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -3623.252952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3623.252952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3623.252952 (E_RNA) where: Base-Base interactions energy: -2621.075 where: short stacking energy: -1016.656 Base-Backbone interact. energy: 0.925 local terms energy: -1003.102828 where: bonds (distance) C4'-P energy: -150.179 bonds (distance) P-C4' energy: -186.283 flat angles C4'-P-C4' energy: -221.684 flat angles P-C4'-P energy: -155.183 tors. eta vs tors. theta energy: -289.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -3629.111966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3629.111966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3629.111966 (E_RNA) where: Base-Base interactions energy: -2691.111 where: short stacking energy: -1036.878 Base-Backbone interact. energy: 2.225 local terms energy: -940.226040 where: bonds (distance) C4'-P energy: -164.100 bonds (distance) P-C4' energy: -139.570 flat angles C4'-P-C4' energy: -202.661 flat angles P-C4'-P energy: -134.075 tors. eta vs tors. theta energy: -299.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -3488.049970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.049970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.049970 (E_RNA) where: Base-Base interactions energy: -2532.120 where: short stacking energy: -977.246 Base-Backbone interact. energy: -0.290 local terms energy: -955.639820 where: bonds (distance) C4'-P energy: -169.454 bonds (distance) P-C4' energy: -163.974 flat angles C4'-P-C4' energy: -202.178 flat angles P-C4'-P energy: -132.929 tors. eta vs tors. theta energy: -287.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -3427.497771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3427.497771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3427.497771 (E_RNA) where: Base-Base interactions energy: -2499.144 where: short stacking energy: -949.409 Base-Backbone interact. energy: 2.409 local terms energy: -930.762810 where: bonds (distance) C4'-P energy: -141.092 bonds (distance) P-C4' energy: -169.946 flat angles C4'-P-C4' energy: -184.700 flat angles P-C4'-P energy: -145.433 tors. eta vs tors. theta energy: -289.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -3186.109010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.109010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.109010 (E_RNA) where: Base-Base interactions energy: -2303.901 where: short stacking energy: -896.716 Base-Backbone interact. energy: -3.787 local terms energy: -878.421045 where: bonds (distance) C4'-P energy: -161.039 bonds (distance) P-C4' energy: -147.123 flat angles C4'-P-C4' energy: -193.872 flat angles P-C4'-P energy: -128.406 tors. eta vs tors. theta energy: -247.981 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: 449 Temperature: 1.300000 Total energy: -2987.664470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.664470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.664470 (E_RNA) where: Base-Base interactions energy: -2144.792 where: short stacking energy: -838.039 Base-Backbone interact. energy: -0.494 local terms energy: -842.378671 where: bonds (distance) C4'-P energy: -154.242 bonds (distance) P-C4' energy: -152.480 flat angles C4'-P-C4' energy: -173.421 flat angles P-C4'-P energy: -124.685 tors. eta vs tors. theta energy: -237.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -2679.094293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.094293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.094293 (E_RNA) where: Base-Base interactions energy: -1885.551 where: short stacking energy: -754.144 Base-Backbone interact. energy: -0.675 local terms energy: -792.868883 where: bonds (distance) C4'-P energy: -136.140 bonds (distance) P-C4' energy: -148.403 flat angles C4'-P-C4' energy: -167.566 flat angles P-C4'-P energy: -104.805 tors. eta vs tors. theta energy: -235.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3886.687511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3886.687511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3886.687511 (E_RNA) where: Base-Base interactions energy: -2827.571 where: short stacking energy: -1104.703 Base-Backbone interact. energy: -1.432 local terms energy: -1057.684659 where: bonds (distance) C4'-P energy: -186.022 bonds (distance) P-C4' energy: -191.177 flat angles C4'-P-C4' energy: -229.481 flat angles P-C4'-P energy: -146.052 tors. eta vs tors. theta energy: -304.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3829.463693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3829.463693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3829.463693 (E_RNA) where: Base-Base interactions energy: -2804.512 where: short stacking energy: -1085.436 Base-Backbone interact. energy: -3.331 local terms energy: -1021.620347 where: bonds (distance) C4'-P energy: -167.717 bonds (distance) P-C4' energy: -189.470 flat angles C4'-P-C4' energy: -214.163 flat angles P-C4'-P energy: -137.038 tors. eta vs tors. theta energy: -313.231 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: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -3743.502227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3743.502227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3743.502227 (E_RNA) where: Base-Base interactions energy: -2754.298 where: short stacking energy: -1070.671 Base-Backbone interact. energy: -1.718 local terms energy: -987.487002 where: bonds (distance) C4'-P energy: -179.024 bonds (distance) P-C4' energy: -165.500 flat angles C4'-P-C4' energy: -183.530 flat angles P-C4'-P energy: -141.244 tors. eta vs tors. theta energy: -318.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -3625.079288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3625.079288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3625.079288 (E_RNA) where: Base-Base interactions energy: -2646.002 where: short stacking energy: -1037.783 Base-Backbone interact. energy: -1.496 local terms energy: -977.580654 where: bonds (distance) C4'-P energy: -154.864 bonds (distance) P-C4' energy: -171.385 flat angles C4'-P-C4' energy: -211.015 flat angles P-C4'-P energy: -149.460 tors. eta vs tors. theta energy: -290.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -3597.547003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.547003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.547003 (E_RNA) where: Base-Base interactions energy: -2668.579 where: short stacking energy: -1011.694 Base-Backbone interact. energy: 0.641 local terms energy: -929.609397 where: bonds (distance) C4'-P energy: -173.627 bonds (distance) P-C4' energy: -144.190 flat angles C4'-P-C4' energy: -195.376 flat angles P-C4'-P energy: -120.708 tors. eta vs tors. theta energy: -295.708 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: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -3471.765822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3471.765822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3471.765822 (E_RNA) where: Base-Base interactions energy: -2526.104 where: short stacking energy: -990.748 Base-Backbone interact. energy: -2.025 local terms energy: -943.636810 where: bonds (distance) C4'-P energy: -146.717 bonds (distance) P-C4' energy: -144.052 flat angles C4'-P-C4' energy: -216.275 flat angles P-C4'-P energy: -142.393 tors. eta vs tors. theta energy: -294.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -3454.729123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.729123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.729123 (E_RNA) where: Base-Base interactions energy: -2535.604 where: short stacking energy: -988.305 Base-Backbone interact. energy: -2.391 local terms energy: -916.734293 where: bonds (distance) C4'-P energy: -153.819 bonds (distance) P-C4' energy: -146.344 flat angles C4'-P-C4' energy: -199.141 flat angles P-C4'-P energy: -128.690 tors. eta vs tors. theta energy: -288.741 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: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -3216.967950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.967950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.967950 (E_RNA) where: Base-Base interactions energy: -2349.024 where: short stacking energy: -919.828 Base-Backbone interact. energy: -1.644 local terms energy: -866.299591 where: bonds (distance) C4'-P energy: -132.645 bonds (distance) P-C4' energy: -141.067 flat angles C4'-P-C4' energy: -196.289 flat angles P-C4'-P energy: -128.633 tors. eta vs tors. theta energy: -267.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -2865.800806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.800806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.800806 (E_RNA) where: Base-Base interactions energy: -2115.045 where: short stacking energy: -837.502 Base-Backbone interact. energy: 1.432 local terms energy: -752.188017 where: bonds (distance) C4'-P energy: -119.739 bonds (distance) P-C4' energy: -153.241 flat angles C4'-P-C4' energy: -167.052 flat angles P-C4'-P energy: -93.879 tors. eta vs tors. theta energy: -218.277 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: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -2633.056348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.056348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.056348 (E_RNA) where: Base-Base interactions energy: -1871.721 where: short stacking energy: -739.712 Base-Backbone interact. energy: 4.462 local terms energy: -765.797201 where: bonds (distance) C4'-P energy: -143.603 bonds (distance) P-C4' energy: -143.598 flat angles C4'-P-C4' energy: -164.998 flat angles P-C4'-P energy: -110.451 tors. eta vs tors. theta energy: -203.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3903.748092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3903.748092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3903.748092 (E_RNA) where: Base-Base interactions energy: -2855.847 where: short stacking energy: -1092.979 Base-Backbone interact. energy: -2.558 local terms energy: -1045.343308 where: bonds (distance) C4'-P energy: -170.074 bonds (distance) P-C4' energy: -184.940 flat angles C4'-P-C4' energy: -223.330 flat angles P-C4'-P energy: -148.582 tors. eta vs tors. theta energy: -318.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3799.210248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3799.210248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3799.210248 (E_RNA) where: Base-Base interactions energy: -2763.839 where: short stacking energy: -1085.489 Base-Backbone interact. energy: 0.270 local terms energy: -1035.641314 where: bonds (distance) C4'-P energy: -172.037 bonds (distance) P-C4' energy: -193.679 flat angles C4'-P-C4' energy: -218.856 flat angles P-C4'-P energy: -140.147 tors. eta vs tors. theta energy: -310.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -3778.315869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3778.315869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3778.315869 (E_RNA) where: Base-Base interactions energy: -2743.978 where: short stacking energy: -1080.936 Base-Backbone interact. energy: -0.072 local terms energy: -1034.265594 where: bonds (distance) C4'-P energy: -172.957 bonds (distance) P-C4' energy: -172.051 flat angles C4'-P-C4' energy: -217.678 flat angles P-C4'-P energy: -151.734 tors. eta vs tors. theta energy: -319.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -3688.117625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3688.117625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3688.117625 (E_RNA) where: Base-Base interactions energy: -2684.150 where: short stacking energy: -1021.345 Base-Backbone interact. energy: 2.638 local terms energy: -1006.605669 where: bonds (distance) C4'-P energy: -166.935 bonds (distance) P-C4' energy: -179.026 flat angles C4'-P-C4' energy: -217.534 flat angles P-C4'-P energy: -140.475 tors. eta vs tors. theta energy: -302.636 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: 5, replica: 9 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -3548.414474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3548.414474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3548.414474 (E_RNA) where: Base-Base interactions energy: -2610.082 where: short stacking energy: -1027.148 Base-Backbone interact. energy: -2.824 local terms energy: -935.507984 where: bonds (distance) C4'-P energy: -153.410 bonds (distance) P-C4' energy: -150.047 flat angles C4'-P-C4' energy: -197.524 flat angles P-C4'-P energy: -142.330 tors. eta vs tors. theta energy: -292.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -3498.168004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3498.168004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3498.168004 (E_RNA) where: Base-Base interactions energy: -2574.234 where: short stacking energy: -999.739 Base-Backbone interact. energy: -1.167 local terms energy: -922.766661 where: bonds (distance) C4'-P energy: -162.401 bonds (distance) P-C4' energy: -152.765 flat angles C4'-P-C4' energy: -185.829 flat angles P-C4'-P energy: -117.596 tors. eta vs tors. theta energy: -304.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -3389.166359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3389.166359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3389.166359 (E_RNA) where: Base-Base interactions energy: -2454.550 where: short stacking energy: -961.323 Base-Backbone interact. energy: -4.194 local terms energy: -930.421817 where: bonds (distance) C4'-P energy: -151.522 bonds (distance) P-C4' energy: -160.461 flat angles C4'-P-C4' energy: -199.740 flat angles P-C4'-P energy: -140.399 tors. eta vs tors. theta energy: -278.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -3154.582040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.582040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.582040 (E_RNA) where: Base-Base interactions energy: -2304.246 where: short stacking energy: -904.580 Base-Backbone interact. energy: 0.131 local terms energy: -850.467370 where: bonds (distance) C4'-P energy: -147.806 bonds (distance) P-C4' energy: -119.468 flat angles C4'-P-C4' energy: -194.467 flat angles P-C4'-P energy: -123.300 tors. eta vs tors. theta energy: -265.427 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: 451 Temperature: 1.300000 Total energy: -2952.437584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.437584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.437584 (E_RNA) where: Base-Base interactions energy: -2130.213 where: short stacking energy: -810.563 Base-Backbone interact. energy: -4.034 local terms energy: -818.190058 where: bonds (distance) C4'-P energy: -147.772 bonds (distance) P-C4' energy: -152.223 flat angles C4'-P-C4' energy: -189.631 flat angles P-C4'-P energy: -105.457 tors. eta vs tors. theta energy: -223.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -2641.121590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.121590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.121590 (E_RNA) where: Base-Base interactions energy: -1882.636 where: short stacking energy: -747.410 Base-Backbone interact. energy: 5.759 local terms energy: -764.244347 where: bonds (distance) C4'-P energy: -126.910 bonds (distance) P-C4' energy: -155.828 flat angles C4'-P-C4' energy: -170.190 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -203.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3912.164801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3912.164801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3912.164801 (E_RNA) where: Base-Base interactions energy: -2830.995 where: short stacking energy: -1089.372 Base-Backbone interact. energy: -0.910 local terms energy: -1080.260436 where: bonds (distance) C4'-P energy: -182.587 bonds (distance) P-C4' energy: -210.416 flat angles C4'-P-C4' energy: -224.709 flat angles P-C4'-P energy: -153.033 tors. eta vs tors. theta energy: -309.515 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: 452 Temperature: 0.950000 Total energy: -3792.515428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3792.515428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3792.515428 (E_RNA) where: Base-Base interactions energy: -2762.301 where: short stacking energy: -1058.949 Base-Backbone interact. energy: -3.638 local terms energy: -1026.576137 where: bonds (distance) C4'-P energy: -167.360 bonds (distance) P-C4' energy: -182.360 flat angles C4'-P-C4' energy: -214.077 flat angles P-C4'-P energy: -150.113 tors. eta vs tors. theta energy: -312.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -3729.518413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3729.518413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3729.518413 (E_RNA) where: Base-Base interactions energy: -2703.952 where: short stacking energy: -1055.828 Base-Backbone interact. energy: -3.659 local terms energy: -1021.907991 where: bonds (distance) C4'-P energy: -187.555 bonds (distance) P-C4' energy: -165.405 flat angles C4'-P-C4' energy: -204.055 flat angles P-C4'-P energy: -158.541 tors. eta vs tors. theta energy: -306.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -3699.135657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3699.135657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3699.135657 (E_RNA) where: Base-Base interactions energy: -2735.050 where: short stacking energy: -1043.315 Base-Backbone interact. energy: -3.876 local terms energy: -960.209627 where: bonds (distance) C4'-P energy: -162.148 bonds (distance) P-C4' energy: -168.602 flat angles C4'-P-C4' energy: -207.658 flat angles P-C4'-P energy: -126.100 tors. eta vs tors. theta energy: -295.702 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: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -3570.306251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3570.306251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3570.306251 (E_RNA) where: Base-Base interactions energy: -2573.772 where: short stacking energy: -979.577 Base-Backbone interact. energy: -1.869 local terms energy: -994.664970 where: bonds (distance) C4'-P energy: -166.835 bonds (distance) P-C4' energy: -188.408 flat angles C4'-P-C4' energy: -207.975 flat angles P-C4'-P energy: -140.073 tors. eta vs tors. theta energy: -291.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -3495.453346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3495.453346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3495.453346 (E_RNA) where: Base-Base interactions energy: -2584.855 where: short stacking energy: -1000.761 Base-Backbone interact. energy: 0.784 local terms energy: -911.381575 where: bonds (distance) C4'-P energy: -144.367 bonds (distance) P-C4' energy: -152.713 flat angles C4'-P-C4' energy: -204.366 flat angles P-C4'-P energy: -125.915 tors. eta vs tors. theta energy: -284.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -3422.345417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3422.345417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3422.345417 (E_RNA) where: Base-Base interactions energy: -2511.871 where: short stacking energy: -972.923 Base-Backbone interact. energy: -1.210 local terms energy: -909.265012 where: bonds (distance) C4'-P energy: -142.339 bonds (distance) P-C4' energy: -152.517 flat angles C4'-P-C4' energy: -209.269 flat angles P-C4'-P energy: -130.236 tors. eta vs tors. theta energy: -274.905 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: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -3233.247286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.247286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.247286 (E_RNA) where: Base-Base interactions energy: -2342.396 where: short stacking energy: -920.019 Base-Backbone interact. energy: -1.572 local terms energy: -889.279443 where: bonds (distance) C4'-P energy: -151.208 bonds (distance) P-C4' energy: -140.810 flat angles C4'-P-C4' energy: -209.407 flat angles P-C4'-P energy: -113.081 tors. eta vs tors. theta energy: -274.774 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: 452 Temperature: 1.300000 Total energy: -2990.076046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.076046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.076046 (E_RNA) where: Base-Base interactions energy: -2170.387 where: short stacking energy: -838.841 Base-Backbone interact. energy: -1.370 local terms energy: -818.319558 where: bonds (distance) C4'-P energy: -154.625 bonds (distance) P-C4' energy: -130.113 flat angles C4'-P-C4' energy: -188.525 flat angles P-C4'-P energy: -104.931 tors. eta vs tors. theta energy: -240.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -2642.506125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.506125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.506125 (E_RNA) where: Base-Base interactions energy: -1875.078 where: short stacking energy: -740.389 Base-Backbone interact. energy: -1.158 local terms energy: -766.270211 where: bonds (distance) C4'-P energy: -128.749 bonds (distance) P-C4' energy: -151.055 flat angles C4'-P-C4' energy: -167.164 flat angles P-C4'-P energy: -112.118 tors. eta vs tors. theta energy: -207.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3910.255002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3910.255002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3910.255002 (E_RNA) where: Base-Base interactions energy: -2856.331 where: short stacking energy: -1079.374 Base-Backbone interact. energy: -2.079 local terms energy: -1051.845090 where: bonds (distance) C4'-P energy: -176.940 bonds (distance) P-C4' energy: -188.363 flat angles C4'-P-C4' energy: -218.412 flat angles P-C4'-P energy: -152.988 tors. eta vs tors. theta energy: -315.142 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: 2, replica: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3787.019567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3787.019567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3787.019567 (E_RNA) where: Base-Base interactions energy: -2785.597 where: short stacking energy: -1076.177 Base-Backbone interact. energy: 0.547 local terms energy: -1001.969509 where: bonds (distance) C4'-P energy: -175.672 bonds (distance) P-C4' energy: -169.397 flat angles C4'-P-C4' energy: -208.490 flat angles P-C4'-P energy: -135.420 tors. eta vs tors. theta energy: -312.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -3736.355446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3736.355446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3736.355446 (E_RNA) where: Base-Base interactions energy: -2710.098 where: short stacking energy: -1035.968 Base-Backbone interact. energy: 1.337 local terms energy: -1027.595009 where: bonds (distance) C4'-P energy: -170.029 bonds (distance) P-C4' energy: -177.148 flat angles C4'-P-C4' energy: -221.825 flat angles P-C4'-P energy: -151.420 tors. eta vs tors. theta energy: -307.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -3676.099024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.099024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.099024 (E_RNA) where: Base-Base interactions energy: -2679.134 where: short stacking energy: -1028.772 Base-Backbone interact. energy: 1.956 local terms energy: -998.920961 where: bonds (distance) C4'-P energy: -185.046 bonds (distance) P-C4' energy: -167.560 flat angles C4'-P-C4' energy: -217.757 flat angles P-C4'-P energy: -130.167 tors. eta vs tors. theta energy: -298.391 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: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -3553.447607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3553.447607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3553.447607 (E_RNA) where: Base-Base interactions energy: -2589.947 where: short stacking energy: -991.684 Base-Backbone interact. energy: -2.812 local terms energy: -960.689087 where: bonds (distance) C4'-P energy: -152.148 bonds (distance) P-C4' energy: -145.055 flat angles C4'-P-C4' energy: -218.819 flat angles P-C4'-P energy: -146.631 tors. eta vs tors. theta energy: -298.036 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: 6, replica: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -3460.435419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3460.435419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3460.435419 (E_RNA) where: Base-Base interactions energy: -2523.843 where: short stacking energy: -969.841 Base-Backbone interact. energy: -1.006 local terms energy: -935.586730 where: bonds (distance) C4'-P energy: -137.439 bonds (distance) P-C4' energy: -169.706 flat angles C4'-P-C4' energy: -202.788 flat angles P-C4'-P energy: -140.159 tors. eta vs tors. theta energy: -285.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -3400.656806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3400.656806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3400.656806 (E_RNA) where: Base-Base interactions energy: -2500.469 where: short stacking energy: -965.289 Base-Backbone interact. energy: -0.578 local terms energy: -899.609916 where: bonds (distance) C4'-P energy: -119.982 bonds (distance) P-C4' energy: -175.561 flat angles C4'-P-C4' energy: -194.249 flat angles P-C4'-P energy: -124.676 tors. eta vs tors. theta energy: -285.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -3233.257746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.257746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.257746 (E_RNA) where: Base-Base interactions energy: -2350.809 where: short stacking energy: -904.231 Base-Backbone interact. energy: -1.417 local terms energy: -881.031138 where: bonds (distance) C4'-P energy: -161.796 bonds (distance) P-C4' energy: -145.338 flat angles C4'-P-C4' energy: -192.212 flat angles P-C4'-P energy: -114.843 tors. eta vs tors. theta energy: -266.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -3008.341173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.341173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.341173 (E_RNA) where: Base-Base interactions energy: -2181.823 where: short stacking energy: -851.529 Base-Backbone interact. energy: -2.119 local terms energy: -824.399735 where: bonds (distance) C4'-P energy: -129.964 bonds (distance) P-C4' energy: -141.637 flat angles C4'-P-C4' energy: -178.163 flat angles P-C4'-P energy: -119.940 tors. eta vs tors. theta energy: -254.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -2620.148453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.148453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.148453 (E_RNA) where: Base-Base interactions energy: -1875.304 where: short stacking energy: -736.102 Base-Backbone interact. energy: -2.571 local terms energy: -742.274034 where: bonds (distance) C4'-P energy: -144.885 bonds (distance) P-C4' energy: -142.677 flat angles C4'-P-C4' energy: -155.610 flat angles P-C4'-P energy: -108.298 tors. eta vs tors. theta energy: -190.804 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: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3893.464869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3893.464869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3893.464869 (E_RNA) where: Base-Base interactions energy: -2844.110 where: short stacking energy: -1112.983 Base-Backbone interact. energy: -1.989 local terms energy: -1047.365904 where: bonds (distance) C4'-P energy: -176.730 bonds (distance) P-C4' energy: -183.661 flat angles C4'-P-C4' energy: -217.203 flat angles P-C4'-P energy: -148.047 tors. eta vs tors. theta energy: -321.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3792.267502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3792.267502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3792.267502 (E_RNA) where: Base-Base interactions energy: -2755.651 where: short stacking energy: -1075.720 Base-Backbone interact. energy: 4.023 local terms energy: -1040.639492 where: bonds (distance) C4'-P energy: -183.475 bonds (distance) P-C4' energy: -184.470 flat angles C4'-P-C4' energy: -212.053 flat angles P-C4'-P energy: -152.747 tors. eta vs tors. theta energy: -307.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -3745.825810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3745.825810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3745.825810 (E_RNA) where: Base-Base interactions energy: -2748.979 where: short stacking energy: -1050.940 Base-Backbone interact. energy: -1.999 local terms energy: -994.848484 where: bonds (distance) C4'-P energy: -174.680 bonds (distance) P-C4' energy: -176.866 flat angles C4'-P-C4' energy: -214.223 flat angles P-C4'-P energy: -125.864 tors. eta vs tors. theta energy: -303.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -3699.605052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3699.605052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3699.605052 (E_RNA) where: Base-Base interactions energy: -2738.023 where: short stacking energy: -1036.017 Base-Backbone interact. energy: 0.172 local terms energy: -961.754236 where: bonds (distance) C4'-P energy: -152.792 bonds (distance) P-C4' energy: -164.839 flat angles C4'-P-C4' energy: -197.405 flat angles P-C4'-P energy: -139.338 tors. eta vs tors. theta energy: -307.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -3557.106988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3557.106988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3557.106988 (E_RNA) where: Base-Base interactions energy: -2570.750 where: short stacking energy: -1004.605 Base-Backbone interact. energy: 0.939 local terms energy: -987.296622 where: bonds (distance) C4'-P energy: -175.848 bonds (distance) P-C4' energy: -187.098 flat angles C4'-P-C4' energy: -203.017 flat angles P-C4'-P energy: -121.821 tors. eta vs tors. theta energy: -299.512 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: 9 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -3443.537187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3443.537187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3443.537187 (E_RNA) where: Base-Base interactions energy: -2512.207 where: short stacking energy: -961.275 Base-Backbone interact. energy: -3.258 local terms energy: -928.072359 where: bonds (distance) C4'-P energy: -153.651 bonds (distance) P-C4' energy: -177.973 flat angles C4'-P-C4' energy: -191.707 flat angles P-C4'-P energy: -131.754 tors. eta vs tors. theta energy: -272.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -3408.001119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3408.001119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3408.001119 (E_RNA) where: Base-Base interactions energy: -2495.984 where: short stacking energy: -959.160 Base-Backbone interact. energy: -3.578 local terms energy: -908.439041 where: bonds (distance) C4'-P energy: -146.088 bonds (distance) P-C4' energy: -166.246 flat angles C4'-P-C4' energy: -182.153 flat angles P-C4'-P energy: -130.474 tors. eta vs tors. theta energy: -283.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -3225.570358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.570358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.570358 (E_RNA) where: Base-Base interactions energy: -2323.352 where: short stacking energy: -925.290 Base-Backbone interact. energy: 0.178 local terms energy: -902.396271 where: bonds (distance) C4'-P energy: -153.526 bonds (distance) P-C4' energy: -156.702 flat angles C4'-P-C4' energy: -189.674 flat angles P-C4'-P energy: -134.522 tors. eta vs tors. theta energy: -267.971 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: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -3049.629852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.629852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.629852 (E_RNA) where: Base-Base interactions energy: -2200.869 where: short stacking energy: -863.842 Base-Backbone interact. energy: 3.801 local terms energy: -852.561894 where: bonds (distance) C4'-P energy: -142.446 bonds (distance) P-C4' energy: -148.404 flat angles C4'-P-C4' energy: -183.721 flat angles P-C4'-P energy: -125.611 tors. eta vs tors. theta energy: -252.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -2666.668956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.668956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.668956 (E_RNA) where: Base-Base interactions energy: -1881.596 where: short stacking energy: -740.544 Base-Backbone interact. energy: -0.714 local terms energy: -784.359059 where: bonds (distance) C4'-P energy: -151.515 bonds (distance) P-C4' energy: -161.708 flat angles C4'-P-C4' energy: -173.115 flat angles P-C4'-P energy: -106.310 tors. eta vs tors. theta energy: -191.710 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: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3912.719288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3912.719288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3912.719288 (E_RNA) where: Base-Base interactions energy: -2841.022 where: short stacking energy: -1093.894 Base-Backbone interact. energy: -1.606 local terms energy: -1070.092012 where: bonds (distance) C4'-P energy: -182.228 bonds (distance) P-C4' energy: -183.382 flat angles C4'-P-C4' energy: -219.002 flat angles P-C4'-P energy: -163.441 tors. eta vs tors. theta energy: -322.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3793.057163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3793.057163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3793.057163 (E_RNA) where: Base-Base interactions energy: -2796.637 where: short stacking energy: -1082.624 Base-Backbone interact. energy: 3.331 local terms energy: -999.750841 where: bonds (distance) C4'-P energy: -172.166 bonds (distance) P-C4' energy: -159.451 flat angles C4'-P-C4' energy: -222.644 flat angles P-C4'-P energy: -131.792 tors. eta vs tors. theta energy: -313.699 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: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -3719.546295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3719.546295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3719.546295 (E_RNA) where: Base-Base interactions energy: -2700.395 where: short stacking energy: -1033.879 Base-Backbone interact. energy: 0.858 local terms energy: -1020.009912 where: bonds (distance) C4'-P energy: -167.280 bonds (distance) P-C4' energy: -186.071 flat angles C4'-P-C4' energy: -217.851 flat angles P-C4'-P energy: -153.187 tors. eta vs tors. theta energy: -295.620 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: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -3726.212343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3726.212343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3726.212343 (E_RNA) where: Base-Base interactions energy: -2710.736 where: short stacking energy: -1032.475 Base-Backbone interact. energy: 0.404 local terms energy: -1015.880192 where: bonds (distance) C4'-P energy: -169.715 bonds (distance) P-C4' energy: -173.288 flat angles C4'-P-C4' energy: -210.251 flat angles P-C4'-P energy: -153.511 tors. eta vs tors. theta energy: -309.115 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: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -3568.972358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.972358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.972358 (E_RNA) where: Base-Base interactions energy: -2569.791 where: short stacking energy: -1000.934 Base-Backbone interact. energy: 3.101 local terms energy: -1002.282574 where: bonds (distance) C4'-P energy: -174.584 bonds (distance) P-C4' energy: -185.812 flat angles C4'-P-C4' energy: -200.975 flat angles P-C4'-P energy: -137.253 tors. eta vs tors. theta energy: -303.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -3465.813311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3465.813311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3465.813311 (E_RNA) where: Base-Base interactions energy: -2512.924 where: short stacking energy: -980.098 Base-Backbone interact. energy: -2.046 local terms energy: -950.843378 where: bonds (distance) C4'-P energy: -166.505 bonds (distance) P-C4' energy: -161.592 flat angles C4'-P-C4' energy: -185.265 flat angles P-C4'-P energy: -140.735 tors. eta vs tors. theta energy: -296.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -3460.967915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3460.967915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3460.967915 (E_RNA) where: Base-Base interactions energy: -2537.475 where: short stacking energy: -986.424 Base-Backbone interact. energy: -1.556 local terms energy: -921.937379 where: bonds (distance) C4'-P energy: -146.066 bonds (distance) P-C4' energy: -150.757 flat angles C4'-P-C4' energy: -190.870 flat angles P-C4'-P energy: -140.241 tors. eta vs tors. theta energy: -294.004 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: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -3175.975295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.975295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.975295 (E_RNA) where: Base-Base interactions energy: -2325.099 where: short stacking energy: -896.343 Base-Backbone interact. energy: 7.609 local terms energy: -858.485405 where: bonds (distance) C4'-P energy: -146.619 bonds (distance) P-C4' energy: -137.756 flat angles C4'-P-C4' energy: -181.031 flat angles P-C4'-P energy: -116.985 tors. eta vs tors. theta energy: -276.094 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: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -3040.130230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.130230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.130230 (E_RNA) where: Base-Base interactions energy: -2217.700 where: short stacking energy: -860.128 Base-Backbone interact. energy: 6.129 local terms energy: -828.558530 where: bonds (distance) C4'-P energy: -140.796 bonds (distance) P-C4' energy: -158.555 flat angles C4'-P-C4' energy: -170.708 flat angles P-C4'-P energy: -105.989 tors. eta vs tors. theta energy: -252.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -2624.943700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.943700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.943700 (E_RNA) where: Base-Base interactions energy: -1869.334 where: short stacking energy: -746.329 Base-Backbone interact. energy: -1.573 local terms energy: -754.036508 where: bonds (distance) C4'-P energy: -138.625 bonds (distance) P-C4' energy: -139.738 flat angles C4'-P-C4' energy: -188.314 flat angles P-C4'-P energy: -88.434 tors. eta vs tors. theta energy: -198.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3892.201650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3892.201650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3892.201650 (E_RNA) where: Base-Base interactions energy: -2822.486 where: short stacking energy: -1079.734 Base-Backbone interact. energy: -0.711 local terms energy: -1069.004792 where: bonds (distance) C4'-P energy: -194.612 bonds (distance) P-C4' energy: -184.883 flat angles C4'-P-C4' energy: -224.980 flat angles P-C4'-P energy: -144.823 tors. eta vs tors. theta energy: -319.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3784.089359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3784.089359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3784.089359 (E_RNA) where: Base-Base interactions energy: -2736.863 where: short stacking energy: -1075.814 Base-Backbone interact. energy: 5.458 local terms energy: -1052.684268 where: bonds (distance) C4'-P energy: -199.009 bonds (distance) P-C4' energy: -169.418 flat angles C4'-P-C4' energy: -232.569 flat angles P-C4'-P energy: -144.534 tors. eta vs tors. theta energy: -307.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -3753.192274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3753.192274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3753.192274 (E_RNA) where: Base-Base interactions energy: -2753.771 where: short stacking energy: -1079.071 Base-Backbone interact. energy: 2.164 local terms energy: -1001.585076 where: bonds (distance) C4'-P energy: -162.437 bonds (distance) P-C4' energy: -178.663 flat angles C4'-P-C4' energy: -202.433 flat angles P-C4'-P energy: -148.731 tors. eta vs tors. theta energy: -309.321 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: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -3691.221117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3691.221117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3691.221117 (E_RNA) where: Base-Base interactions energy: -2712.796 where: short stacking energy: -1033.050 Base-Backbone interact. energy: -0.086 local terms energy: -978.339372 where: bonds (distance) C4'-P energy: -169.727 bonds (distance) P-C4' energy: -179.497 flat angles C4'-P-C4' energy: -194.245 flat angles P-C4'-P energy: -126.368 tors. eta vs tors. theta energy: -308.503 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: 9 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -3517.786485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3517.786485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3517.786485 (E_RNA) where: Base-Base interactions energy: -2561.680 where: short stacking energy: -982.388 Base-Backbone interact. energy: 0.369 local terms energy: -956.474967 where: bonds (distance) C4'-P energy: -143.410 bonds (distance) P-C4' energy: -178.320 flat angles C4'-P-C4' energy: -208.650 flat angles P-C4'-P energy: -134.823 tors. eta vs tors. theta energy: -291.271 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: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -3524.698022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3524.698022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3524.698022 (E_RNA) where: Base-Base interactions energy: -2556.018 where: short stacking energy: -989.739 Base-Backbone interact. energy: -3.313 local terms energy: -965.367028 where: bonds (distance) C4'-P energy: -174.634 bonds (distance) P-C4' energy: -171.746 flat angles C4'-P-C4' energy: -196.208 flat angles P-C4'-P energy: -127.886 tors. eta vs tors. theta energy: -294.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -3413.965593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3413.965593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3413.965593 (E_RNA) where: Base-Base interactions energy: -2495.125 where: short stacking energy: -981.418 Base-Backbone interact. energy: -1.397 local terms energy: -917.443483 where: bonds (distance) C4'-P energy: -145.961 bonds (distance) P-C4' energy: -156.758 flat angles C4'-P-C4' energy: -210.857 flat angles P-C4'-P energy: -118.501 tors. eta vs tors. theta energy: -285.367 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: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -3213.821475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.821475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.821475 (E_RNA) where: Base-Base interactions energy: -2339.038 where: short stacking energy: -911.009 Base-Backbone interact. energy: 0.093 local terms energy: -874.876152 where: bonds (distance) C4'-P energy: -110.039 bonds (distance) P-C4' energy: -167.310 flat angles C4'-P-C4' energy: -202.172 flat angles P-C4'-P energy: -125.001 tors. eta vs tors. theta energy: -270.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -3083.784583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.784583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.784583 (E_RNA) where: Base-Base interactions energy: -2214.419 where: short stacking energy: -867.866 Base-Backbone interact. energy: 0.530 local terms energy: -869.896062 where: bonds (distance) C4'-P energy: -169.310 bonds (distance) P-C4' energy: -162.308 flat angles C4'-P-C4' energy: -194.710 flat angles P-C4'-P energy: -92.776 tors. eta vs tors. theta energy: -250.791 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: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -2571.112831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.112831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.112831 (E_RNA) where: Base-Base interactions energy: -1813.834 where: short stacking energy: -731.055 Base-Backbone interact. energy: 0.874 local terms energy: -758.152802 where: bonds (distance) C4'-P energy: -150.662 bonds (distance) P-C4' energy: -138.886 flat angles C4'-P-C4' energy: -167.247 flat angles P-C4'-P energy: -111.224 tors. eta vs tors. theta energy: -190.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3908.129098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3908.129098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3908.129098 (E_RNA) where: Base-Base interactions energy: -2867.900 where: short stacking energy: -1107.869 Base-Backbone interact. energy: -2.706 local terms energy: -1037.523019 where: bonds (distance) C4'-P energy: -183.091 bonds (distance) P-C4' energy: -170.636 flat angles C4'-P-C4' energy: -212.465 flat angles P-C4'-P energy: -153.957 tors. eta vs tors. theta energy: -317.375 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: 457 Temperature: 0.950000 Total energy: -3796.507984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3796.507984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3796.507984 (E_RNA) where: Base-Base interactions energy: -2759.227 where: short stacking energy: -1085.524 Base-Backbone interact. energy: 0.407 local terms energy: -1037.688095 where: bonds (distance) C4'-P energy: -175.946 bonds (distance) P-C4' energy: -184.392 flat angles C4'-P-C4' energy: -217.532 flat angles P-C4'-P energy: -135.997 tors. eta vs tors. theta energy: -323.821 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: 457 Temperature: 1.000000 Total energy: -3745.399339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3745.399339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3745.399339 (E_RNA) where: Base-Base interactions energy: -2742.681 where: short stacking energy: -1080.101 Base-Backbone interact. energy: 2.640 local terms energy: -1005.358254 where: bonds (distance) C4'-P energy: -171.349 bonds (distance) P-C4' energy: -169.488 flat angles C4'-P-C4' energy: -210.676 flat angles P-C4'-P energy: -143.723 tors. eta vs tors. theta energy: -310.121 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: 4, replica: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -3711.231931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3711.231931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3711.231931 (E_RNA) where: Base-Base interactions energy: -2718.457 where: short stacking energy: -1024.551 Base-Backbone interact. energy: -0.044 local terms energy: -992.730788 where: bonds (distance) C4'-P energy: -149.976 bonds (distance) P-C4' energy: -172.021 flat angles C4'-P-C4' energy: -216.704 flat angles P-C4'-P energy: -159.040 tors. eta vs tors. theta energy: -294.990 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: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -3516.680231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3516.680231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3516.680231 (E_RNA) where: Base-Base interactions energy: -2558.224 where: short stacking energy: -1011.661 Base-Backbone interact. energy: 5.507 local terms energy: -963.962752 where: bonds (distance) C4'-P energy: -150.114 bonds (distance) P-C4' energy: -183.479 flat angles C4'-P-C4' energy: -204.647 flat angles P-C4'-P energy: -131.705 tors. eta vs tors. theta energy: -294.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -3510.827716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3510.827716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3510.827716 (E_RNA) where: Base-Base interactions energy: -2585.694 where: short stacking energy: -1017.341 Base-Backbone interact. energy: -2.102 local terms energy: -923.031646 where: bonds (distance) C4'-P energy: -146.126 bonds (distance) P-C4' energy: -146.030 flat angles C4'-P-C4' energy: -209.805 flat angles P-C4'-P energy: -125.789 tors. eta vs tors. theta energy: -295.282 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: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -3387.430482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.430482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.430482 (E_RNA) where: Base-Base interactions energy: -2468.642 where: short stacking energy: -949.608 Base-Backbone interact. energy: -1.324 local terms energy: -917.464821 where: bonds (distance) C4'-P energy: -157.164 bonds (distance) P-C4' energy: -160.681 flat angles C4'-P-C4' energy: -184.134 flat angles P-C4'-P energy: -125.974 tors. eta vs tors. theta energy: -289.512 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -3265.427002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.427002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.427002 (E_RNA) where: Base-Base interactions energy: -2366.471 where: short stacking energy: -904.227 Base-Backbone interact. energy: -2.187 local terms energy: -896.768446 where: bonds (distance) C4'-P energy: -157.411 bonds (distance) P-C4' energy: -160.842 flat angles C4'-P-C4' energy: -190.243 flat angles P-C4'-P energy: -122.405 tors. eta vs tors. theta energy: -265.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -3008.132266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.132266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.132266 (E_RNA) where: Base-Base interactions energy: -2186.398 where: short stacking energy: -834.250 Base-Backbone interact. energy: -1.414 local terms energy: -820.320735 where: bonds (distance) C4'-P energy: -149.488 bonds (distance) P-C4' energy: -142.780 flat angles C4'-P-C4' energy: -181.187 flat angles P-C4'-P energy: -104.449 tors. eta vs tors. theta energy: -242.417 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: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -2621.073060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.073060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.073060 (E_RNA) where: Base-Base interactions energy: -1853.601 where: short stacking energy: -759.379 Base-Backbone interact. energy: -1.762 local terms energy: -765.709835 where: bonds (distance) C4'-P energy: -143.220 bonds (distance) P-C4' energy: -146.750 flat angles C4'-P-C4' energy: -160.033 flat angles P-C4'-P energy: -105.831 tors. eta vs tors. theta energy: -209.876 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: 1, replica: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3890.307281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.307281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.307281 (E_RNA) where: Base-Base interactions energy: -2830.334 where: short stacking energy: -1096.495 Base-Backbone interact. energy: 1.410 local terms energy: -1061.383896 where: bonds (distance) C4'-P energy: -192.344 bonds (distance) P-C4' energy: -178.912 flat angles C4'-P-C4' energy: -222.322 flat angles P-C4'-P energy: -150.710 tors. eta vs tors. theta energy: -317.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3806.797096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3806.797096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3806.797096 (E_RNA) where: Base-Base interactions energy: -2768.799 where: short stacking energy: -1078.896 Base-Backbone interact. energy: -1.398 local terms energy: -1036.599922 where: bonds (distance) C4'-P energy: -167.429 bonds (distance) P-C4' energy: -185.547 flat angles C4'-P-C4' energy: -220.254 flat angles P-C4'-P energy: -144.933 tors. eta vs tors. theta energy: -318.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -3756.974720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3756.974720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3756.974720 (E_RNA) where: Base-Base interactions energy: -2746.804 where: short stacking energy: -1054.263 Base-Backbone interact. energy: -1.923 local terms energy: -1008.247268 where: bonds (distance) C4'-P energy: -193.798 bonds (distance) P-C4' energy: -159.524 flat angles C4'-P-C4' energy: -214.335 flat angles P-C4'-P energy: -138.246 tors. eta vs tors. theta energy: -302.344 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: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -3680.927385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3680.927385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3680.927385 (E_RNA) where: Base-Base interactions energy: -2686.384 where: short stacking energy: -1051.613 Base-Backbone interact. energy: -1.506 local terms energy: -993.037054 where: bonds (distance) C4'-P energy: -165.555 bonds (distance) P-C4' energy: -175.526 flat angles C4'-P-C4' energy: -202.538 flat angles P-C4'-P energy: -141.074 tors. eta vs tors. theta energy: -308.344 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: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -3597.052050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3597.052050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3597.052050 (E_RNA) where: Base-Base interactions energy: -2603.863 where: short stacking energy: -1001.777 Base-Backbone interact. energy: -1.384 local terms energy: -991.804589 where: bonds (distance) C4'-P energy: -171.582 bonds (distance) P-C4' energy: -167.076 flat angles C4'-P-C4' energy: -211.693 flat angles P-C4'-P energy: -142.285 tors. eta vs tors. theta energy: -299.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -3432.418929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3432.418929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3432.418929 (E_RNA) where: Base-Base interactions energy: -2474.503 where: short stacking energy: -942.050 Base-Backbone interact. energy: -0.885 local terms energy: -957.030727 where: bonds (distance) C4'-P energy: -161.125 bonds (distance) P-C4' energy: -177.246 flat angles C4'-P-C4' energy: -202.422 flat angles P-C4'-P energy: -136.646 tors. eta vs tors. theta energy: -279.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -3411.572143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3411.572143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3411.572143 (E_RNA) where: Base-Base interactions energy: -2500.371 where: short stacking energy: -1000.695 Base-Backbone interact. energy: -1.533 local terms energy: -909.669016 where: bonds (distance) C4'-P energy: -151.269 bonds (distance) P-C4' energy: -144.285 flat angles C4'-P-C4' energy: -202.417 flat angles P-C4'-P energy: -121.255 tors. eta vs tors. theta energy: -290.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -3262.415872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3262.415872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3262.415872 (E_RNA) where: Base-Base interactions energy: -2387.672 where: short stacking energy: -930.161 Base-Backbone interact. energy: 3.908 local terms energy: -878.652226 where: bonds (distance) C4'-P energy: -121.921 bonds (distance) P-C4' energy: -153.787 flat angles C4'-P-C4' energy: -196.444 flat angles P-C4'-P energy: -131.955 tors. eta vs tors. theta energy: -274.545 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: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -3063.212202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.212202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.212202 (E_RNA) where: Base-Base interactions energy: -2242.845 where: short stacking energy: -873.876 Base-Backbone interact. energy: -0.891 local terms energy: -819.475986 where: bonds (distance) C4'-P energy: -131.710 bonds (distance) P-C4' energy: -158.245 flat angles C4'-P-C4' energy: -178.701 flat angles P-C4'-P energy: -107.481 tors. eta vs tors. theta energy: -243.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -2659.207243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.207243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.207243 (E_RNA) where: Base-Base interactions energy: -1882.520 where: short stacking energy: -733.835 Base-Backbone interact. energy: -2.300 local terms energy: -774.386952 where: bonds (distance) C4'-P energy: -132.005 bonds (distance) P-C4' energy: -141.594 flat angles C4'-P-C4' energy: -173.675 flat angles P-C4'-P energy: -125.035 tors. eta vs tors. theta energy: -202.078 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: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3915.756256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3915.756256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3915.756256 (E_RNA) where: Base-Base interactions energy: -2854.945 where: short stacking energy: -1081.887 Base-Backbone interact. energy: 2.286 local terms energy: -1063.097393 where: bonds (distance) C4'-P energy: -190.089 bonds (distance) P-C4' energy: -184.561 flat angles C4'-P-C4' energy: -222.624 flat angles P-C4'-P energy: -151.650 tors. eta vs tors. theta energy: -314.173 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: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -3782.615293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3782.615293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3782.615293 (E_RNA) where: Base-Base interactions energy: -2738.877 where: short stacking energy: -1055.997 Base-Backbone interact. energy: -1.372 local terms energy: -1042.365392 where: bonds (distance) C4'-P energy: -179.249 bonds (distance) P-C4' energy: -186.855 flat angles C4'-P-C4' energy: -216.410 flat angles P-C4'-P energy: -143.511 tors. eta vs tors. theta energy: -316.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -3750.524090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3750.524090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3750.524090 (E_RNA) where: Base-Base interactions energy: -2734.637 where: short stacking energy: -1038.079 Base-Backbone interact. energy: 2.551 local terms energy: -1018.438551 where: bonds (distance) C4'-P energy: -181.088 bonds (distance) P-C4' energy: -172.546 flat angles C4'-P-C4' energy: -213.434 flat angles P-C4'-P energy: -141.965 tors. eta vs tors. theta energy: -309.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -3658.783683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3658.783683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3658.783683 (E_RNA) where: Base-Base interactions energy: -2653.363 where: short stacking energy: -1030.742 Base-Backbone interact. energy: -2.712 local terms energy: -1002.708058 where: bonds (distance) C4'-P energy: -167.768 bonds (distance) P-C4' energy: -179.380 flat angles C4'-P-C4' energy: -213.216 flat angles P-C4'-P energy: -136.779 tors. eta vs tors. theta energy: -305.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -3574.940414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3574.940414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3574.940414 (E_RNA) where: Base-Base interactions energy: -2601.211 where: short stacking energy: -1005.709 Base-Backbone interact. energy: -0.673 local terms energy: -973.056656 where: bonds (distance) C4'-P energy: -167.536 bonds (distance) P-C4' energy: -171.865 flat angles C4'-P-C4' energy: -212.276 flat angles P-C4'-P energy: -129.782 tors. eta vs tors. theta energy: -291.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -3448.355126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.355126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.355126 (E_RNA) where: Base-Base interactions energy: -2520.324 where: short stacking energy: -986.514 Base-Backbone interact. energy: -2.283 local terms energy: -925.747843 where: bonds (distance) C4'-P energy: -147.411 bonds (distance) P-C4' energy: -145.610 flat angles C4'-P-C4' energy: -205.529 flat angles P-C4'-P energy: -132.580 tors. eta vs tors. theta energy: -294.616 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: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -3347.562511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.562511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.562511 (E_RNA) where: Base-Base interactions energy: -2428.747 where: short stacking energy: -932.904 Base-Backbone interact. energy: 5.207 local terms energy: -924.022928 where: bonds (distance) C4'-P energy: -149.661 bonds (distance) P-C4' energy: -161.662 flat angles C4'-P-C4' energy: -213.038 flat angles P-C4'-P energy: -132.953 tors. eta vs tors. theta energy: -266.709 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: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -3267.878947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.878947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.878947 (E_RNA) where: Base-Base interactions energy: -2402.722 where: short stacking energy: -930.484 Base-Backbone interact. energy: 0.189 local terms energy: -865.346421 where: bonds (distance) C4'-P energy: -142.552 bonds (distance) P-C4' energy: -147.481 flat angles C4'-P-C4' energy: -187.991 flat angles P-C4'-P energy: -120.753 tors. eta vs tors. theta energy: -266.569 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: 9, replica: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -3097.273251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.273251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.273251 (E_RNA) where: Base-Base interactions energy: -2263.613 where: short stacking energy: -885.862 Base-Backbone interact. energy: 5.347 local terms energy: -839.007591 where: bonds (distance) C4'-P energy: -148.617 bonds (distance) P-C4' energy: -133.820 flat angles C4'-P-C4' energy: -191.953 flat angles P-C4'-P energy: -109.324 tors. eta vs tors. theta energy: -255.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -2626.733356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.733356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.733356 (E_RNA) where: Base-Base interactions energy: -1890.234 where: short stacking energy: -764.637 Base-Backbone interact. energy: -0.008 local terms energy: -736.490817 where: bonds (distance) C4'-P energy: -128.199 bonds (distance) P-C4' energy: -147.848 flat angles C4'-P-C4' energy: -136.325 flat angles P-C4'-P energy: -112.814 tors. eta vs tors. theta energy: -211.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3903.555363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3903.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3903.555363 (E_RNA) where: Base-Base interactions energy: -2840.372 where: short stacking energy: -1099.087 Base-Backbone interact. energy: -2.108 local terms energy: -1061.074653 where: bonds (distance) C4'-P energy: -180.761 bonds (distance) P-C4' energy: -183.418 flat angles C4'-P-C4' energy: -216.893 flat angles P-C4'-P energy: -157.739 tors. eta vs tors. theta energy: -322.264 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: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -3794.770908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3794.770908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3794.770908 (E_RNA) where: Base-Base interactions energy: -2751.979 where: short stacking energy: -1069.187 Base-Backbone interact. energy: 2.033 local terms energy: -1044.824826 where: bonds (distance) C4'-P energy: -177.670 bonds (distance) P-C4' energy: -197.362 flat angles C4'-P-C4' energy: -218.641 flat angles P-C4'-P energy: -132.810 tors. eta vs tors. theta energy: -318.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -3752.454673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3752.454673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3752.454673 (E_RNA) where: Base-Base interactions energy: -2745.047 where: short stacking energy: -1021.124 Base-Backbone interact. energy: -3.725 local terms energy: -1003.682776 where: bonds (distance) C4'-P energy: -167.205 bonds (distance) P-C4' energy: -189.046 flat angles C4'-P-C4' energy: -210.239 flat angles P-C4'-P energy: -137.743 tors. eta vs tors. theta energy: -299.450 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: 4, replica: 3 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -3648.181235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3648.181235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3648.181235 (E_RNA) where: Base-Base interactions energy: -2681.348 where: short stacking energy: -1040.894 Base-Backbone interact. energy: -2.856 local terms energy: -963.976811 where: bonds (distance) C4'-P energy: -151.496 bonds (distance) P-C4' energy: -170.485 flat angles C4'-P-C4' energy: -201.142 flat angles P-C4'-P energy: -139.966 tors. eta vs tors. theta energy: -300.888 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: 460 Temperature: 1.100000 Total energy: -3559.728151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3559.728151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3559.728151 (E_RNA) where: Base-Base interactions energy: -2611.024 where: short stacking energy: -1002.569 Base-Backbone interact. energy: -1.508 local terms energy: -947.196539 where: bonds (distance) C4'-P energy: -145.074 bonds (distance) P-C4' energy: -158.284 flat angles C4'-P-C4' energy: -213.008 flat angles P-C4'-P energy: -134.144 tors. eta vs tors. theta energy: -296.686 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: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -3412.893259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3412.893259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3412.893259 (E_RNA) where: Base-Base interactions energy: -2457.384 where: short stacking energy: -962.087 Base-Backbone interact. energy: -1.229 local terms energy: -954.280787 where: bonds (distance) C4'-P energy: -177.605 bonds (distance) P-C4' energy: -175.937 flat angles C4'-P-C4' energy: -200.915 flat angles P-C4'-P energy: -118.036 tors. eta vs tors. theta energy: -281.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -3344.118520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3344.118520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3344.118520 (E_RNA) where: Base-Base interactions energy: -2440.126 where: short stacking energy: -955.506 Base-Backbone interact. energy: -1.364 local terms energy: -902.629297 where: bonds (distance) C4'-P energy: -156.567 bonds (distance) P-C4' energy: -158.166 flat angles C4'-P-C4' energy: -188.971 flat angles P-C4'-P energy: -123.269 tors. eta vs tors. theta energy: -275.656 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: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -3268.219004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.219004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.219004 (E_RNA) where: Base-Base interactions energy: -2378.423 where: short stacking energy: -905.547 Base-Backbone interact. energy: 0.167 local terms energy: -889.963396 where: bonds (distance) C4'-P energy: -154.595 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -199.850 flat angles P-C4'-P energy: -130.434 tors. eta vs tors. theta energy: -267.910 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: 2 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -3061.400028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.400028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.400028 (E_RNA) where: Base-Base interactions energy: -2228.512 where: short stacking energy: -866.329 Base-Backbone interact. energy: -2.190 local terms energy: -830.698037 where: bonds (distance) C4'-P energy: -132.067 bonds (distance) P-C4' energy: -132.152 flat angles C4'-P-C4' energy: -188.047 flat angles P-C4'-P energy: -119.091 tors. eta vs tors. theta energy: -259.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -2615.552497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.552497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.552497 (E_RNA) where: Base-Base interactions energy: -1888.485 where: short stacking energy: -741.291 Base-Backbone interact. energy: -2.804 local terms energy: -724.263201 where: bonds (distance) C4'-P energy: -135.431 bonds (distance) P-C4' energy: -131.739 flat angles C4'-P-C4' energy: -177.121 flat angles P-C4'-P energy: -96.241 tors. eta vs tors. theta energy: -183.731 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: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3912.500835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3912.500835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3912.500835 (E_RNA) where: Base-Base interactions energy: -2836.605 where: short stacking energy: -1116.988 Base-Backbone interact. energy: 1.930 local terms energy: -1077.825243 where: bonds (distance) C4'-P energy: -195.390 bonds (distance) P-C4' energy: -184.327 flat angles C4'-P-C4' energy: -224.330 flat angles P-C4'-P energy: -153.376 tors. eta vs tors. theta energy: -320.403 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: 10 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3825.209779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.209779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.209779 (E_RNA) where: Base-Base interactions energy: -2805.606 where: short stacking energy: -1066.573 Base-Backbone interact. energy: -2.482 local terms energy: -1017.121773 where: bonds (distance) C4'-P energy: -181.075 bonds (distance) P-C4' energy: -182.663 flat angles C4'-P-C4' energy: -206.244 flat angles P-C4'-P energy: -141.198 tors. eta vs tors. theta energy: -305.941 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: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -3718.988428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3718.988428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3718.988428 (E_RNA) where: Base-Base interactions energy: -2716.017 where: short stacking energy: -1047.269 Base-Backbone interact. energy: -2.987 local terms energy: -999.984225 where: bonds (distance) C4'-P energy: -176.686 bonds (distance) P-C4' energy: -164.867 flat angles C4'-P-C4' energy: -213.289 flat angles P-C4'-P energy: -132.539 tors. eta vs tors. theta energy: -312.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -3647.158265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3647.158265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3647.158265 (E_RNA) where: Base-Base interactions energy: -2661.802 where: short stacking energy: -1015.647 Base-Backbone interact. energy: -1.144 local terms energy: -984.212117 where: bonds (distance) C4'-P energy: -166.840 bonds (distance) P-C4' energy: -180.829 flat angles C4'-P-C4' energy: -216.619 flat angles P-C4'-P energy: -133.293 tors. eta vs tors. theta energy: -286.632 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: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -3587.026883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3587.026883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3587.026883 (E_RNA) where: Base-Base interactions energy: -2627.632 where: short stacking energy: -1007.460 Base-Backbone interact. energy: 1.961 local terms energy: -961.355230 where: bonds (distance) C4'-P energy: -162.657 bonds (distance) P-C4' energy: -160.472 flat angles C4'-P-C4' energy: -204.510 flat angles P-C4'-P energy: -139.125 tors. eta vs tors. theta energy: -294.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -3430.527938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.527938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.527938 (E_RNA) where: Base-Base interactions energy: -2487.490 where: short stacking energy: -966.656 Base-Backbone interact. energy: -2.784 local terms energy: -940.254457 where: bonds (distance) C4'-P energy: -148.021 bonds (distance) P-C4' energy: -157.653 flat angles C4'-P-C4' energy: -206.808 flat angles P-C4'-P energy: -143.103 tors. eta vs tors. theta energy: -284.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -3402.634342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3402.634342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3402.634342 (E_RNA) where: Base-Base interactions energy: -2481.637 where: short stacking energy: -953.706 Base-Backbone interact. energy: -0.959 local terms energy: -920.038477 where: bonds (distance) C4'-P energy: -155.397 bonds (distance) P-C4' energy: -142.851 flat angles C4'-P-C4' energy: -201.529 flat angles P-C4'-P energy: -125.113 tors. eta vs tors. theta energy: -295.149 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: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -3253.625975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.625975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.625975 (E_RNA) where: Base-Base interactions energy: -2418.476 where: short stacking energy: -947.513 Base-Backbone interact. energy: -1.474 local terms energy: -833.676249 where: bonds (distance) C4'-P energy: -114.813 bonds (distance) P-C4' energy: -131.964 flat angles C4'-P-C4' energy: -174.735 flat angles P-C4'-P energy: -137.285 tors. eta vs tors. theta energy: -274.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -3139.767963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.767963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.767963 (E_RNA) where: Base-Base interactions energy: -2294.200 where: short stacking energy: -894.824 Base-Backbone interact. energy: 0.709 local terms energy: -846.276542 where: bonds (distance) C4'-P energy: -137.566 bonds (distance) P-C4' energy: -148.188 flat angles C4'-P-C4' energy: -187.817 flat angles P-C4'-P energy: -117.290 tors. eta vs tors. theta energy: -255.415 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: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -2643.070718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.070718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.070718 (E_RNA) where: Base-Base interactions energy: -1891.147 where: short stacking energy: -730.620 Base-Backbone interact. energy: -2.481 local terms energy: -749.442910 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -160.298 flat angles C4'-P-C4' energy: -163.952 flat angles P-C4'-P energy: -87.414 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: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3890.740806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.740806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.740806 (E_RNA) where: Base-Base interactions energy: -2862.745 where: short stacking energy: -1095.651 Base-Backbone interact. energy: -0.186 local terms energy: -1027.809064 where: bonds (distance) C4'-P energy: -177.805 bonds (distance) P-C4' energy: -183.294 flat angles C4'-P-C4' energy: -217.503 flat angles P-C4'-P energy: -137.136 tors. eta vs tors. theta energy: -312.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3845.011551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3845.011551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3845.011551 (E_RNA) where: Base-Base interactions energy: -2817.219 where: short stacking energy: -1087.807 Base-Backbone interact. energy: -6.276 local terms energy: -1021.517106 where: bonds (distance) C4'-P energy: -173.888 bonds (distance) P-C4' energy: -172.751 flat angles C4'-P-C4' energy: -219.184 flat angles P-C4'-P energy: -147.776 tors. eta vs tors. theta energy: -307.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -3697.131324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3697.131324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3697.131324 (E_RNA) where: Base-Base interactions energy: -2702.731 where: short stacking energy: -1048.983 Base-Backbone interact. energy: 5.305 local terms energy: -999.705198 where: bonds (distance) C4'-P energy: -174.765 bonds (distance) P-C4' energy: -179.983 flat angles C4'-P-C4' energy: -209.354 flat angles P-C4'-P energy: -132.837 tors. eta vs tors. theta energy: -302.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -3650.362274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.362274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.362274 (E_RNA) where: Base-Base interactions energy: -2676.212 where: short stacking energy: -1013.615 Base-Backbone interact. energy: -1.082 local terms energy: -973.068506 where: bonds (distance) C4'-P energy: -158.897 bonds (distance) P-C4' energy: -172.208 flat angles C4'-P-C4' energy: -205.059 flat angles P-C4'-P energy: -139.897 tors. eta vs tors. theta energy: -297.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -3576.064304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3576.064304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3576.064304 (E_RNA) where: Base-Base interactions energy: -2608.266 where: short stacking energy: -994.428 Base-Backbone interact. energy: 4.779 local terms energy: -972.576646 where: bonds (distance) C4'-P energy: -152.292 bonds (distance) P-C4' energy: -168.255 flat angles C4'-P-C4' energy: -213.666 flat angles P-C4'-P energy: -143.611 tors. eta vs tors. theta energy: -294.753 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: 9 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -3451.782979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3451.782979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3451.782979 (E_RNA) where: Base-Base interactions energy: -2542.172 where: short stacking energy: -994.571 Base-Backbone interact. energy: -1.126 local terms energy: -908.485029 where: bonds (distance) C4'-P energy: -151.445 bonds (distance) P-C4' energy: -149.444 flat angles C4'-P-C4' energy: -192.363 flat angles P-C4'-P energy: -123.486 tors. eta vs tors. theta energy: -291.747 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: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -3367.327937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3367.327937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3367.327937 (E_RNA) where: Base-Base interactions energy: -2468.504 where: short stacking energy: -942.416 Base-Backbone interact. energy: 1.784 local terms energy: -900.608223 where: bonds (distance) C4'-P energy: -141.064 bonds (distance) P-C4' energy: -168.030 flat angles C4'-P-C4' energy: -201.547 flat angles P-C4'-P energy: -109.832 tors. eta vs tors. theta energy: -280.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -3238.258011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.258011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.258011 (E_RNA) where: Base-Base interactions energy: -2368.225 where: short stacking energy: -899.519 Base-Backbone interact. energy: -0.829 local terms energy: -869.203854 where: bonds (distance) C4'-P energy: -137.034 bonds (distance) P-C4' energy: -154.055 flat angles C4'-P-C4' energy: -177.396 flat angles P-C4'-P energy: -132.302 tors. eta vs tors. theta energy: -268.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -3104.338587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.338587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.338587 (E_RNA) where: Base-Base interactions energy: -2223.964 where: short stacking energy: -880.405 Base-Backbone interact. energy: -3.522 local terms energy: -876.852600 where: bonds (distance) C4'-P energy: -152.245 bonds (distance) P-C4' energy: -157.097 flat angles C4'-P-C4' energy: -174.698 flat angles P-C4'-P energy: -122.199 tors. eta vs tors. theta energy: -270.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -2620.111807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.111807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.111807 (E_RNA) where: Base-Base interactions energy: -1922.964 where: short stacking energy: -741.246 Base-Backbone interact. energy: -1.477 local terms energy: -695.670587 where: bonds (distance) C4'-P energy: -142.855 bonds (distance) P-C4' energy: -124.867 flat angles C4'-P-C4' energy: -166.648 flat angles P-C4'-P energy: -68.405 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: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3877.908959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3877.908959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3877.908959 (E_RNA) where: Base-Base interactions energy: -2806.468 where: short stacking energy: -1087.791 Base-Backbone interact. energy: -0.487 local terms energy: -1070.953515 where: bonds (distance) C4'-P energy: -173.711 bonds (distance) P-C4' energy: -195.745 flat angles C4'-P-C4' energy: -230.454 flat angles P-C4'-P energy: -158.026 tors. eta vs tors. theta energy: -313.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -3831.013953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3831.013953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3831.013953 (E_RNA) where: Base-Base interactions energy: -2795.084 where: short stacking energy: -1053.848 Base-Backbone interact. energy: -1.164 local terms energy: -1034.766041 where: bonds (distance) C4'-P energy: -181.307 bonds (distance) P-C4' energy: -180.587 flat angles C4'-P-C4' energy: -212.983 flat angles P-C4'-P energy: -149.087 tors. eta vs tors. theta energy: -310.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -3700.539744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3700.539744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3700.539744 (E_RNA) where: Base-Base interactions energy: -2705.808 where: short stacking energy: -1046.220 Base-Backbone interact. energy: -2.281 local terms energy: -992.450560 where: bonds (distance) C4'-P energy: -166.593 bonds (distance) P-C4' energy: -164.336 flat angles C4'-P-C4' energy: -216.897 flat angles P-C4'-P energy: -132.144 tors. eta vs tors. theta energy: -312.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -3613.010192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3613.010192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3613.010192 (E_RNA) where: Base-Base interactions energy: -2634.362 where: short stacking energy: -1028.050 Base-Backbone interact. energy: -1.759 local terms energy: -976.889337 where: bonds (distance) C4'-P energy: -166.951 bonds (distance) P-C4' energy: -165.378 flat angles C4'-P-C4' energy: -215.681 flat angles P-C4'-P energy: -144.814 tors. eta vs tors. theta energy: -284.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -3566.144840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.144840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.144840 (E_RNA) where: Base-Base interactions energy: -2611.569 where: short stacking energy: -1013.732 Base-Backbone interact. energy: -1.536 local terms energy: -953.040167 where: bonds (distance) C4'-P energy: -147.436 bonds (distance) P-C4' energy: -159.741 flat angles C4'-P-C4' energy: -214.773 flat angles P-C4'-P energy: -133.813 tors. eta vs tors. theta energy: -297.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -3437.955222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.955222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.955222 (E_RNA) where: Base-Base interactions energy: -2528.760 where: short stacking energy: -989.914 Base-Backbone interact. energy: 0.929 local terms energy: -910.123400 where: bonds (distance) C4'-P energy: -146.123 bonds (distance) P-C4' energy: -161.289 flat angles C4'-P-C4' energy: -199.146 flat angles P-C4'-P energy: -129.734 tors. eta vs tors. theta energy: -273.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -3386.474414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3386.474414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3386.474414 (E_RNA) where: Base-Base interactions energy: -2474.909 where: short stacking energy: -966.553 Base-Backbone interact. energy: -1.932 local terms energy: -909.632963 where: bonds (distance) C4'-P energy: -146.947 bonds (distance) P-C4' energy: -163.076 flat angles C4'-P-C4' energy: -196.500 flat angles P-C4'-P energy: -127.054 tors. eta vs tors. theta energy: -276.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -3236.578328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.578328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.578328 (E_RNA) where: Base-Base interactions energy: -2335.331 where: short stacking energy: -908.486 Base-Backbone interact. energy: 4.021 local terms energy: -905.268085 where: bonds (distance) C4'-P energy: -170.564 bonds (distance) P-C4' energy: -152.128 flat angles C4'-P-C4' energy: -188.647 flat angles P-C4'-P energy: -128.519 tors. eta vs tors. theta energy: -265.411 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: 9, replica: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -3096.866006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.866006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.866006 (E_RNA) where: Base-Base interactions energy: -2248.966 where: short stacking energy: -871.328 Base-Backbone interact. energy: 0.530 local terms energy: -848.429909 where: bonds (distance) C4'-P energy: -151.080 bonds (distance) P-C4' energy: -151.238 flat angles C4'-P-C4' energy: -177.718 flat angles P-C4'-P energy: -106.780 tors. eta vs tors. theta energy: -261.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -2652.166743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.166743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.166743 (E_RNA) where: Base-Base interactions energy: -1882.012 where: short stacking energy: -728.101 Base-Backbone interact. energy: 4.508 local terms energy: -774.663183 where: bonds (distance) C4'-P energy: -160.736 bonds (distance) P-C4' energy: -136.297 flat angles C4'-P-C4' energy: -172.927 flat angles P-C4'-P energy: -96.461 tors. eta vs tors. theta energy: -208.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3902.422291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3902.422291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3902.422291 (E_RNA) where: Base-Base interactions energy: -2857.523 where: short stacking energy: -1089.885 Base-Backbone interact. energy: -2.743 local terms energy: -1042.156079 where: bonds (distance) C4'-P energy: -181.672 bonds (distance) P-C4' energy: -186.093 flat angles C4'-P-C4' energy: -214.091 flat angles P-C4'-P energy: -160.795 tors. eta vs tors. theta energy: -299.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3815.207817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3815.207817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3815.207817 (E_RNA) where: Base-Base interactions energy: -2777.772 where: short stacking energy: -1057.244 Base-Backbone interact. energy: -2.920 local terms energy: -1034.515760 where: bonds (distance) C4'-P energy: -181.752 bonds (distance) P-C4' energy: -177.719 flat angles C4'-P-C4' energy: -204.901 flat angles P-C4'-P energy: -156.600 tors. eta vs tors. theta energy: -313.544 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: 5 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -3719.546611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3719.546611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3719.546611 (E_RNA) where: Base-Base interactions energy: -2721.806 where: short stacking energy: -1075.842 Base-Backbone interact. energy: -4.672 local terms energy: -993.068777 where: bonds (distance) C4'-P energy: -155.344 bonds (distance) P-C4' energy: -183.363 flat angles C4'-P-C4' energy: -209.607 flat angles P-C4'-P energy: -139.237 tors. eta vs tors. theta energy: -305.518 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: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -3636.895348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3636.895348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3636.895348 (E_RNA) where: Base-Base interactions energy: -2676.703 where: short stacking energy: -1027.127 Base-Backbone interact. energy: 0.407 local terms energy: -960.599390 where: bonds (distance) C4'-P energy: -167.279 bonds (distance) P-C4' energy: -161.474 flat angles C4'-P-C4' energy: -202.597 flat angles P-C4'-P energy: -132.948 tors. eta vs tors. theta energy: -296.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -3546.363514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3546.363514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3546.363514 (E_RNA) where: Base-Base interactions energy: -2601.580 where: short stacking energy: -998.781 Base-Backbone interact. energy: -2.468 local terms energy: -942.315202 where: bonds (distance) C4'-P energy: -149.455 bonds (distance) P-C4' energy: -166.839 flat angles C4'-P-C4' energy: -187.619 flat angles P-C4'-P energy: -144.067 tors. eta vs tors. theta energy: -294.335 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: 9 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -3431.590321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3431.590321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3431.590321 (E_RNA) where: Base-Base interactions energy: -2538.043 where: short stacking energy: -997.599 Base-Backbone interact. energy: -0.276 local terms energy: -893.271488 where: bonds (distance) C4'-P energy: -155.393 bonds (distance) P-C4' energy: -157.707 flat angles C4'-P-C4' energy: -183.019 flat angles P-C4'-P energy: -115.971 tors. eta vs tors. theta energy: -281.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -3392.066163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3392.066163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3392.066163 (E_RNA) where: Base-Base interactions energy: -2484.600 where: short stacking energy: -949.943 Base-Backbone interact. energy: -3.417 local terms energy: -904.049212 where: bonds (distance) C4'-P energy: -161.794 bonds (distance) P-C4' energy: -138.320 flat angles C4'-P-C4' energy: -194.618 flat angles P-C4'-P energy: -122.667 tors. eta vs tors. theta energy: -286.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -3221.099499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.099499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.099499 (E_RNA) where: Base-Base interactions energy: -2362.371 where: short stacking energy: -906.949 Base-Backbone interact. energy: -3.858 local terms energy: -854.870769 where: bonds (distance) C4'-P energy: -155.122 bonds (distance) P-C4' energy: -148.330 flat angles C4'-P-C4' energy: -181.292 flat angles P-C4'-P energy: -115.734 tors. eta vs tors. theta energy: -254.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -3144.453789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.453789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.453789 (E_RNA) where: Base-Base interactions energy: -2314.353 where: short stacking energy: -898.292 Base-Backbone interact. energy: -3.929 local terms energy: -826.172593 where: bonds (distance) C4'-P energy: -146.548 bonds (distance) P-C4' energy: -108.817 flat angles C4'-P-C4' energy: -177.670 flat angles P-C4'-P energy: -128.049 tors. eta vs tors. theta energy: -265.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -2697.144030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.144030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.144030 (E_RNA) where: Base-Base interactions energy: -1925.760 where: short stacking energy: -757.557 Base-Backbone interact. energy: 5.134 local terms energy: -776.518550 where: bonds (distance) C4'-P energy: -115.058 bonds (distance) P-C4' energy: -150.442 flat angles C4'-P-C4' energy: -184.145 flat angles P-C4'-P energy: -112.615 tors. eta vs tors. theta energy: -214.259 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: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3897.186938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3897.186938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3897.186938 (E_RNA) where: Base-Base interactions energy: -2845.334 where: short stacking energy: -1104.924 Base-Backbone interact. energy: -1.162 local terms energy: -1050.690325 where: bonds (distance) C4'-P energy: -176.762 bonds (distance) P-C4' energy: -192.380 flat angles C4'-P-C4' energy: -212.355 flat angles P-C4'-P energy: -151.940 tors. eta vs tors. theta energy: -317.253 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3810.943160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3810.943160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3810.943160 (E_RNA) where: Base-Base interactions energy: -2780.982 where: short stacking energy: -1072.655 Base-Backbone interact. energy: -2.545 local terms energy: -1027.416221 where: bonds (distance) C4'-P energy: -167.933 bonds (distance) P-C4' energy: -177.286 flat angles C4'-P-C4' energy: -225.605 flat angles P-C4'-P energy: -141.567 tors. eta vs tors. theta energy: -315.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -3727.977961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3727.977961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3727.977961 (E_RNA) where: Base-Base interactions energy: -2727.309 where: short stacking energy: -1063.957 Base-Backbone interact. energy: -3.174 local terms energy: -997.495343 where: bonds (distance) C4'-P energy: -149.572 bonds (distance) P-C4' energy: -184.049 flat angles C4'-P-C4' energy: -210.519 flat angles P-C4'-P energy: -147.337 tors. eta vs tors. theta energy: -306.018 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: 3 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -3654.247829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3654.247829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3654.247829 (E_RNA) where: Base-Base interactions energy: -2676.615 where: short stacking energy: -1006.032 Base-Backbone interact. energy: 0.507 local terms energy: -978.140589 where: bonds (distance) C4'-P energy: -160.899 bonds (distance) P-C4' energy: -175.093 flat angles C4'-P-C4' energy: -216.917 flat angles P-C4'-P energy: -137.837 tors. eta vs tors. theta energy: -287.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -3568.421089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.421089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.421089 (E_RNA) where: Base-Base interactions energy: -2606.371 where: short stacking energy: -1005.414 Base-Backbone interact. energy: -2.133 local terms energy: -959.917273 where: bonds (distance) C4'-P energy: -148.452 bonds (distance) P-C4' energy: -164.014 flat angles C4'-P-C4' energy: -214.333 flat angles P-C4'-P energy: -138.681 tors. eta vs tors. theta energy: -294.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -3422.174691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3422.174691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3422.174691 (E_RNA) where: Base-Base interactions energy: -2511.404 where: short stacking energy: -967.003 Base-Backbone interact. energy: -1.430 local terms energy: -909.340384 where: bonds (distance) C4'-P energy: -165.155 bonds (distance) P-C4' energy: -161.745 flat angles C4'-P-C4' energy: -181.674 flat angles P-C4'-P energy: -115.606 tors. eta vs tors. theta energy: -285.160 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: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -3407.936323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3407.936323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3407.936323 (E_RNA) where: Base-Base interactions energy: -2488.677 where: short stacking energy: -989.852 Base-Backbone interact. energy: 0.364 local terms energy: -919.622796 where: bonds (distance) C4'-P energy: -141.000 bonds (distance) P-C4' energy: -146.440 flat angles C4'-P-C4' energy: -210.383 flat angles P-C4'-P energy: -125.947 tors. eta vs tors. theta energy: -295.853 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: 465 Temperature: 1.250000 Total energy: -3243.883830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.883830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.883830 (E_RNA) where: Base-Base interactions energy: -2360.768 where: short stacking energy: -928.239 Base-Backbone interact. energy: -1.749 local terms energy: -881.367099 where: bonds (distance) C4'-P energy: -145.305 bonds (distance) P-C4' energy: -161.123 flat angles C4'-P-C4' energy: -183.315 flat angles P-C4'-P energy: -117.291 tors. eta vs tors. theta energy: -274.334 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: 465 Temperature: 1.300000 Total energy: -3097.555469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.555469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.555469 (E_RNA) where: Base-Base interactions energy: -2258.544 where: short stacking energy: -874.659 Base-Backbone interact. energy: 1.440 local terms energy: -840.451401 where: bonds (distance) C4'-P energy: -138.918 bonds (distance) P-C4' energy: -138.541 flat angles C4'-P-C4' energy: -194.546 flat angles P-C4'-P energy: -103.596 tors. eta vs tors. theta energy: -264.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -2673.457437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.457437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.457437 (E_RNA) where: Base-Base interactions energy: -1924.464 where: short stacking energy: -760.475 Base-Backbone interact. energy: 0.193 local terms energy: -749.185624 where: bonds (distance) C4'-P energy: -119.359 bonds (distance) P-C4' energy: -142.248 flat angles C4'-P-C4' energy: -173.426 flat angles P-C4'-P energy: -105.776 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: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3886.682593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3886.682593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3886.682593 (E_RNA) where: Base-Base interactions energy: -2823.532 where: short stacking energy: -1092.036 Base-Backbone interact. energy: -0.043 local terms energy: -1063.107925 where: bonds (distance) C4'-P energy: -176.359 bonds (distance) P-C4' energy: -187.088 flat angles C4'-P-C4' energy: -224.271 flat angles P-C4'-P energy: -159.796 tors. eta vs tors. theta energy: -315.594 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: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -3786.124314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3786.124314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3786.124314 (E_RNA) where: Base-Base interactions energy: -2751.405 where: short stacking energy: -1052.121 Base-Backbone interact. energy: -1.199 local terms energy: -1033.520525 where: bonds (distance) C4'-P energy: -172.707 bonds (distance) P-C4' energy: -170.983 flat angles C4'-P-C4' energy: -228.972 flat angles P-C4'-P energy: -145.393 tors. eta vs tors. theta energy: -315.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -3784.145268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3784.145268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3784.145268 (E_RNA) where: Base-Base interactions energy: -2766.424 where: short stacking energy: -1068.234 Base-Backbone interact. energy: -1.532 local terms energy: -1016.189825 where: bonds (distance) C4'-P energy: -170.703 bonds (distance) P-C4' energy: -178.836 flat angles C4'-P-C4' energy: -217.614 flat angles P-C4'-P energy: -140.540 tors. eta vs tors. theta energy: -308.496 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: 3 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -3661.876466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3661.876466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3661.876466 (E_RNA) where: Base-Base interactions energy: -2681.067 where: short stacking energy: -1009.154 Base-Backbone interact. energy: -0.474 local terms energy: -980.334729 where: bonds (distance) C4'-P energy: -187.282 bonds (distance) P-C4' energy: -179.779 flat angles C4'-P-C4' energy: -192.896 flat angles P-C4'-P energy: -129.786 tors. eta vs tors. theta energy: -290.593 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: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -3585.949521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3585.949521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3585.949521 (E_RNA) where: Base-Base interactions energy: -2607.040 where: short stacking energy: -1009.436 Base-Backbone interact. energy: -1.722 local terms energy: -977.187056 where: bonds (distance) C4'-P energy: -141.878 bonds (distance) P-C4' energy: -183.367 flat angles C4'-P-C4' energy: -206.619 flat angles P-C4'-P energy: -138.788 tors. eta vs tors. theta energy: -306.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -3484.874810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.874810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.874810 (E_RNA) where: Base-Base interactions energy: -2526.908 where: short stacking energy: -976.757 Base-Backbone interact. energy: -0.567 local terms energy: -957.399209 where: bonds (distance) C4'-P energy: -150.995 bonds (distance) P-C4' energy: -167.367 flat angles C4'-P-C4' energy: -206.490 flat angles P-C4'-P energy: -137.267 tors. eta vs tors. theta energy: -295.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -3448.409266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.409266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.409266 (E_RNA) where: Base-Base interactions energy: -2522.884 where: short stacking energy: -976.364 Base-Backbone interact. energy: -2.058 local terms energy: -923.467146 where: bonds (distance) C4'-P energy: -147.154 bonds (distance) P-C4' energy: -162.265 flat angles C4'-P-C4' energy: -199.372 flat angles P-C4'-P energy: -125.297 tors. eta vs tors. theta energy: -289.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -3200.995922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.995922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.995922 (E_RNA) where: Base-Base interactions energy: -2337.928 where: short stacking energy: -924.362 Base-Backbone interact. energy: -2.430 local terms energy: -860.638005 where: bonds (distance) C4'-P energy: -130.144 bonds (distance) P-C4' energy: -133.132 flat angles C4'-P-C4' energy: -194.293 flat angles P-C4'-P energy: -134.521 tors. eta vs tors. theta energy: -268.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -3154.837294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.837294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.837294 (E_RNA) where: Base-Base interactions energy: -2318.458 where: short stacking energy: -892.829 Base-Backbone interact. energy: 0.158 local terms energy: -836.537361 where: bonds (distance) C4'-P energy: -138.282 bonds (distance) P-C4' energy: -135.837 flat angles C4'-P-C4' energy: -188.270 flat angles P-C4'-P energy: -112.560 tors. eta vs tors. theta energy: -261.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -2661.109061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.109061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.109061 (E_RNA) where: Base-Base interactions energy: -1916.106 where: short stacking energy: -762.232 Base-Backbone interact. energy: 5.314 local terms energy: -750.317629 where: bonds (distance) C4'-P energy: -128.003 bonds (distance) P-C4' energy: -139.606 flat angles C4'-P-C4' energy: -173.202 flat angles P-C4'-P energy: -104.626 tors. eta vs tors. theta energy: -204.881 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: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3897.528238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3897.528238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3897.528238 (E_RNA) where: Base-Base interactions energy: -2852.766 where: short stacking energy: -1084.599 Base-Backbone interact. energy: -3.244 local terms energy: -1041.518638 where: bonds (distance) C4'-P energy: -185.285 bonds (distance) P-C4' energy: -177.885 flat angles C4'-P-C4' energy: -214.558 flat angles P-C4'-P energy: -146.229 tors. eta vs tors. theta energy: -317.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3803.189174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3803.189174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3803.189174 (E_RNA) where: Base-Base interactions energy: -2769.705 where: short stacking energy: -1075.135 Base-Backbone interact. energy: -3.604 local terms energy: -1029.880498 where: bonds (distance) C4'-P energy: -179.196 bonds (distance) P-C4' energy: -178.401 flat angles C4'-P-C4' energy: -213.265 flat angles P-C4'-P energy: -145.232 tors. eta vs tors. theta energy: -313.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -3746.271636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3746.271636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3746.271636 (E_RNA) where: Base-Base interactions energy: -2754.508 where: short stacking energy: -1058.465 Base-Backbone interact. energy: -1.379 local terms energy: -990.383801 where: bonds (distance) C4'-P energy: -173.230 bonds (distance) P-C4' energy: -172.981 flat angles C4'-P-C4' energy: -204.798 flat angles P-C4'-P energy: -138.298 tors. eta vs tors. theta energy: -301.078 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: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -3615.722655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3615.722655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3615.722655 (E_RNA) where: Base-Base interactions energy: -2621.345 where: short stacking energy: -1008.219 Base-Backbone interact. energy: 1.583 local terms energy: -995.960320 where: bonds (distance) C4'-P energy: -174.645 bonds (distance) P-C4' energy: -173.706 flat angles C4'-P-C4' energy: -214.149 flat angles P-C4'-P energy: -132.969 tors. eta vs tors. theta energy: -300.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -3554.450046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3554.450046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3554.450046 (E_RNA) where: Base-Base interactions energy: -2596.514 where: short stacking energy: -1001.113 Base-Backbone interact. energy: -0.370 local terms energy: -957.565791 where: bonds (distance) C4'-P energy: -157.468 bonds (distance) P-C4' energy: -167.935 flat angles C4'-P-C4' energy: -192.215 flat angles P-C4'-P energy: -133.811 tors. eta vs tors. theta energy: -306.138 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: 9 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -3485.782272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.782272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.782272 (E_RNA) where: Base-Base interactions energy: -2556.907 where: short stacking energy: -985.437 Base-Backbone interact. energy: -0.464 local terms energy: -928.411639 where: bonds (distance) C4'-P energy: -142.953 bonds (distance) P-C4' energy: -156.508 flat angles C4'-P-C4' energy: -206.228 flat angles P-C4'-P energy: -130.453 tors. eta vs tors. theta energy: -292.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -3435.184772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.184772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.184772 (E_RNA) where: Base-Base interactions energy: -2523.917 where: short stacking energy: -973.236 Base-Backbone interact. energy: 0.981 local terms energy: -912.249388 where: bonds (distance) C4'-P energy: -139.297 bonds (distance) P-C4' energy: -161.907 flat angles C4'-P-C4' energy: -204.876 flat angles P-C4'-P energy: -120.914 tors. eta vs tors. theta energy: -285.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -3239.904739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.904739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.904739 (E_RNA) where: Base-Base interactions energy: -2331.830 where: short stacking energy: -906.601 Base-Backbone interact. energy: -3.169 local terms energy: -904.905820 where: bonds (distance) C4'-P energy: -163.447 bonds (distance) P-C4' energy: -146.788 flat angles C4'-P-C4' energy: -201.011 flat angles P-C4'-P energy: -116.427 tors. eta vs tors. theta energy: -277.233 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: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -3099.973858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.973858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.973858 (E_RNA) where: Base-Base interactions energy: -2241.892 where: short stacking energy: -874.579 Base-Backbone interact. energy: -2.771 local terms energy: -855.311378 where: bonds (distance) C4'-P energy: -144.865 bonds (distance) P-C4' energy: -145.655 flat angles C4'-P-C4' energy: -180.219 flat angles P-C4'-P energy: -115.257 tors. eta vs tors. theta energy: -269.315 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: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -2685.807080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.807080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.807080 (E_RNA) where: Base-Base interactions energy: -1928.332 where: short stacking energy: -760.570 Base-Backbone interact. energy: -1.848 local terms energy: -755.627003 where: bonds (distance) C4'-P energy: -129.875 bonds (distance) P-C4' energy: -128.115 flat angles C4'-P-C4' energy: -167.115 flat angles P-C4'-P energy: -119.537 tors. eta vs tors. theta energy: -210.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3938.322073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3938.322073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3938.322073 (E_RNA) where: Base-Base interactions energy: -2863.691 where: short stacking energy: -1113.667 Base-Backbone interact. energy: -2.618 local terms energy: -1072.013021 where: bonds (distance) C4'-P energy: -188.650 bonds (distance) P-C4' energy: -171.673 flat angles C4'-P-C4' energy: -229.644 flat angles P-C4'-P energy: -158.417 tors. eta vs tors. theta energy: -323.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -3811.826046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3811.826046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3811.826046 (E_RNA) where: Base-Base interactions energy: -2770.529 where: short stacking energy: -1078.080 Base-Backbone interact. energy: -1.274 local terms energy: -1040.022560 where: bonds (distance) C4'-P energy: -184.926 bonds (distance) P-C4' energy: -182.189 flat angles C4'-P-C4' energy: -215.797 flat angles P-C4'-P energy: -149.570 tors. eta vs tors. theta energy: -307.540 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: 10 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -3748.881085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3748.881085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3748.881085 (E_RNA) where: Base-Base interactions energy: -2737.775 where: short stacking energy: -1041.129 Base-Backbone interact. energy: -1.935 local terms energy: -1009.171070 where: bonds (distance) C4'-P energy: -169.536 bonds (distance) P-C4' energy: -193.070 flat angles C4'-P-C4' energy: -217.545 flat angles P-C4'-P energy: -121.282 tors. eta vs tors. theta energy: -307.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -3608.578260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3608.578260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3608.578260 (E_RNA) where: Base-Base interactions energy: -2638.949 where: short stacking energy: -1014.387 Base-Backbone interact. energy: 0.198 local terms energy: -969.826579 where: bonds (distance) C4'-P energy: -159.899 bonds (distance) P-C4' energy: -189.320 flat angles C4'-P-C4' energy: -191.696 flat angles P-C4'-P energy: -135.773 tors. eta vs tors. theta energy: -293.138 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: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -3578.917236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3578.917236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3578.917236 (E_RNA) where: Base-Base interactions energy: -2621.926 where: short stacking energy: -1027.827 Base-Backbone interact. energy: -3.217 local terms energy: -953.774136 where: bonds (distance) C4'-P energy: -155.907 bonds (distance) P-C4' energy: -159.812 flat angles C4'-P-C4' energy: -198.895 flat angles P-C4'-P energy: -139.254 tors. eta vs tors. theta energy: -299.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -3427.390943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3427.390943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3427.390943 (E_RNA) where: Base-Base interactions energy: -2511.978 where: short stacking energy: -969.348 Base-Backbone interact. energy: -0.683 local terms energy: -914.730247 where: bonds (distance) C4'-P energy: -157.468 bonds (distance) P-C4' energy: -143.943 flat angles C4'-P-C4' energy: -188.649 flat angles P-C4'-P energy: -130.134 tors. eta vs tors. theta energy: -294.536 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: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -3428.005028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3428.005028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3428.005028 (E_RNA) where: Base-Base interactions energy: -2532.597 where: short stacking energy: -984.359 Base-Backbone interact. energy: 3.786 local terms energy: -899.193686 where: bonds (distance) C4'-P energy: -135.169 bonds (distance) P-C4' energy: -148.649 flat angles C4'-P-C4' energy: -189.469 flat angles P-C4'-P energy: -131.223 tors. eta vs tors. theta energy: -294.683 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: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -3268.480200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.480200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.480200 (E_RNA) where: Base-Base interactions energy: -2390.294 where: short stacking energy: -929.742 Base-Backbone interact. energy: 0.314 local terms energy: -878.500532 where: bonds (distance) C4'-P energy: -140.689 bonds (distance) P-C4' energy: -143.971 flat angles C4'-P-C4' energy: -191.338 flat angles P-C4'-P energy: -119.290 tors. eta vs tors. theta energy: -283.212 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: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -3078.064590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.064590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.064590 (E_RNA) where: Base-Base interactions energy: -2256.575 where: short stacking energy: -853.774 Base-Backbone interact. energy: -2.187 local terms energy: -819.302249 where: bonds (distance) C4'-P energy: -142.224 bonds (distance) P-C4' energy: -147.360 flat angles C4'-P-C4' energy: -167.040 flat angles P-C4'-P energy: -115.102 tors. eta vs tors. theta energy: -247.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -2627.069202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.069202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.069202 (E_RNA) where: Base-Base interactions energy: -1890.203 where: short stacking energy: -755.581 Base-Backbone interact. energy: 2.224 local terms energy: -739.090716 where: bonds (distance) C4'-P energy: -130.739 bonds (distance) P-C4' energy: -146.698 flat angles C4'-P-C4' energy: -170.209 flat angles P-C4'-P energy: -94.905 tors. eta vs tors. theta energy: -196.539 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: 1, replica: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3929.858909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3929.858909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3929.858909 (E_RNA) where: Base-Base interactions energy: -2858.130 where: short stacking energy: -1095.177 Base-Backbone interact. energy: -2.531 local terms energy: -1069.197729 where: bonds (distance) C4'-P energy: -188.855 bonds (distance) P-C4' energy: -180.757 flat angles C4'-P-C4' energy: -223.557 flat angles P-C4'-P energy: -159.662 tors. eta vs tors. theta energy: -316.366 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: 2, replica: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3786.384223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3786.384223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3786.384223 (E_RNA) where: Base-Base interactions energy: -2761.568 where: short stacking energy: -1070.904 Base-Backbone interact. energy: -2.851 local terms energy: -1021.965521 where: bonds (distance) C4'-P energy: -163.178 bonds (distance) P-C4' energy: -189.128 flat angles C4'-P-C4' energy: -210.033 flat angles P-C4'-P energy: -147.887 tors. eta vs tors. theta energy: -311.740 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: 469 Temperature: 1.000000 Total energy: -3772.288649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3772.288649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3772.288649 (E_RNA) where: Base-Base interactions energy: -2730.924 where: short stacking energy: -1048.011 Base-Backbone interact. energy: -4.319 local terms energy: -1037.045486 where: bonds (distance) C4'-P energy: -184.996 bonds (distance) P-C4' energy: -171.255 flat angles C4'-P-C4' energy: -214.602 flat angles P-C4'-P energy: -152.016 tors. eta vs tors. theta energy: -314.176 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: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -3627.516447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3627.516447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3627.516447 (E_RNA) where: Base-Base interactions energy: -2635.168 where: short stacking energy: -1013.464 Base-Backbone interact. energy: 0.111 local terms energy: -992.459549 where: bonds (distance) C4'-P energy: -175.403 bonds (distance) P-C4' energy: -165.377 flat angles C4'-P-C4' energy: -211.086 flat angles P-C4'-P energy: -142.819 tors. eta vs tors. theta energy: -297.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -3558.174922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3558.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3558.174922 (E_RNA) where: Base-Base interactions energy: -2639.296 where: short stacking energy: -1017.339 Base-Backbone interact. energy: -1.519 local terms energy: -917.359026 where: bonds (distance) C4'-P energy: -143.925 bonds (distance) P-C4' energy: -155.138 flat angles C4'-P-C4' energy: -205.057 flat angles P-C4'-P energy: -124.741 tors. eta vs tors. theta energy: -288.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -3498.396533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3498.396533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3498.396533 (E_RNA) where: Base-Base interactions energy: -2576.370 where: short stacking energy: -1036.209 Base-Backbone interact. energy: 1.787 local terms energy: -923.813596 where: bonds (distance) C4'-P energy: -156.730 bonds (distance) P-C4' energy: -148.666 flat angles C4'-P-C4' energy: -199.566 flat angles P-C4'-P energy: -112.575 tors. eta vs tors. theta energy: -306.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -3401.143018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3401.143018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3401.143018 (E_RNA) where: Base-Base interactions energy: -2511.239 where: short stacking energy: -964.890 Base-Backbone interact. energy: 0.261 local terms energy: -890.164571 where: bonds (distance) C4'-P energy: -159.671 bonds (distance) P-C4' energy: -141.831 flat angles C4'-P-C4' energy: -191.326 flat angles P-C4'-P energy: -117.707 tors. eta vs tors. theta energy: -279.630 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: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -3259.040325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.040325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.040325 (E_RNA) where: Base-Base interactions energy: -2377.361 where: short stacking energy: -931.423 Base-Backbone interact. energy: -1.678 local terms energy: -880.000733 where: bonds (distance) C4'-P energy: -158.423 bonds (distance) P-C4' energy: -127.422 flat angles C4'-P-C4' energy: -185.215 flat angles P-C4'-P energy: -126.358 tors. eta vs tors. theta energy: -282.583 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: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -3183.842070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.842070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.842070 (E_RNA) where: Base-Base interactions energy: -2314.396 where: short stacking energy: -872.399 Base-Backbone interact. energy: -3.120 local terms energy: -866.326301 where: bonds (distance) C4'-P energy: -164.076 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -180.046 flat angles P-C4'-P energy: -127.626 tors. eta vs tors. theta energy: -256.216 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: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -2632.059512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.059512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.059512 (E_RNA) where: Base-Base interactions energy: -1895.381 where: short stacking energy: -743.458 Base-Backbone interact. energy: -2.333 local terms energy: -734.345747 where: bonds (distance) C4'-P energy: -142.788 bonds (distance) P-C4' energy: -138.916 flat angles C4'-P-C4' energy: -165.145 flat angles P-C4'-P energy: -89.212 tors. eta vs tors. theta energy: -198.285 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: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3907.111083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3907.111083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3907.111083 (E_RNA) where: Base-Base interactions energy: -2844.779 where: short stacking energy: -1091.807 Base-Backbone interact. energy: -1.409 local terms energy: -1060.922922 where: bonds (distance) C4'-P energy: -188.393 bonds (distance) P-C4' energy: -184.319 flat angles C4'-P-C4' energy: -218.632 flat angles P-C4'-P energy: -160.800 tors. eta vs tors. theta energy: -308.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3791.812445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3791.812445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3791.812445 (E_RNA) where: Base-Base interactions energy: -2745.951 where: short stacking energy: -1056.695 Base-Backbone interact. energy: -2.812 local terms energy: -1043.049121 where: bonds (distance) C4'-P energy: -179.452 bonds (distance) P-C4' energy: -186.938 flat angles C4'-P-C4' energy: -222.736 flat angles P-C4'-P energy: -138.488 tors. eta vs tors. theta energy: -315.436 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: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -3760.426365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3760.426365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3760.426365 (E_RNA) where: Base-Base interactions energy: -2759.635 where: short stacking energy: -1042.944 Base-Backbone interact. energy: -4.605 local terms energy: -996.186290 where: bonds (distance) C4'-P energy: -162.025 bonds (distance) P-C4' energy: -173.703 flat angles C4'-P-C4' energy: -210.526 flat angles P-C4'-P energy: -144.874 tors. eta vs tors. theta energy: -305.059 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: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -3632.072237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3632.072237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3632.072237 (E_RNA) where: Base-Base interactions energy: -2628.773 where: short stacking energy: -1036.853 Base-Backbone interact. energy: -4.014 local terms energy: -999.285821 where: bonds (distance) C4'-P energy: -164.950 bonds (distance) P-C4' energy: -168.639 flat angles C4'-P-C4' energy: -221.727 flat angles P-C4'-P energy: -139.028 tors. eta vs tors. theta energy: -304.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -3559.796496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3559.796496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3559.796496 (E_RNA) where: Base-Base interactions energy: -2601.318 where: short stacking energy: -1005.530 Base-Backbone interact. energy: -0.042 local terms energy: -958.436798 where: bonds (distance) C4'-P energy: -177.109 bonds (distance) P-C4' energy: -163.503 flat angles C4'-P-C4' energy: -197.586 flat angles P-C4'-P energy: -132.102 tors. eta vs tors. theta energy: -288.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -3489.821475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3489.821475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3489.821475 (E_RNA) where: Base-Base interactions energy: -2548.172 where: short stacking energy: -980.311 Base-Backbone interact. energy: -2.263 local terms energy: -939.387224 where: bonds (distance) C4'-P energy: -157.426 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -198.342 flat angles P-C4'-P energy: -130.460 tors. eta vs tors. theta energy: -301.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -3411.949003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3411.949003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3411.949003 (E_RNA) where: Base-Base interactions energy: -2494.525 where: short stacking energy: -970.216 Base-Backbone interact. energy: -1.831 local terms energy: -915.593511 where: bonds (distance) C4'-P energy: -152.174 bonds (distance) P-C4' energy: -164.461 flat angles C4'-P-C4' energy: -192.849 flat angles P-C4'-P energy: -119.607 tors. eta vs tors. theta energy: -286.503 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: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -3265.722857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.722857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.722857 (E_RNA) where: Base-Base interactions energy: -2376.543 where: short stacking energy: -945.803 Base-Backbone interact. energy: -1.213 local terms energy: -887.967275 where: bonds (distance) C4'-P energy: -152.382 bonds (distance) P-C4' energy: -140.406 flat angles C4'-P-C4' energy: -189.526 flat angles P-C4'-P energy: -123.883 tors. eta vs tors. theta energy: -281.770 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: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -3110.670582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.670582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.670582 (E_RNA) where: Base-Base interactions energy: -2263.160 where: short stacking energy: -890.624 Base-Backbone interact. energy: 1.111 local terms energy: -848.621289 where: bonds (distance) C4'-P energy: -138.969 bonds (distance) P-C4' energy: -159.920 flat angles C4'-P-C4' energy: -188.995 flat angles P-C4'-P energy: -107.556 tors. eta vs tors. theta energy: -253.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -2660.533767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.533767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.533767 (E_RNA) where: Base-Base interactions energy: -1872.282 where: short stacking energy: -746.916 Base-Backbone interact. energy: -4.021 local terms energy: -784.230918 where: bonds (distance) C4'-P energy: -141.675 bonds (distance) P-C4' energy: -144.045 flat angles C4'-P-C4' energy: -179.257 flat angles P-C4'-P energy: -101.483 tors. eta vs tors. theta energy: -217.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3924.744152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3924.744152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3924.744152 (E_RNA) where: Base-Base interactions energy: -2850.091 where: short stacking energy: -1083.385 Base-Backbone interact. energy: -1.854 local terms energy: -1072.799756 where: bonds (distance) C4'-P energy: -194.241 bonds (distance) P-C4' energy: -189.127 flat angles C4'-P-C4' energy: -227.982 flat angles P-C4'-P energy: -149.719 tors. eta vs tors. theta energy: -311.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3835.480456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3835.480456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3835.480456 (E_RNA) where: Base-Base interactions energy: -2806.967 where: short stacking energy: -1084.650 Base-Backbone interact. energy: 0.221 local terms energy: -1028.734830 where: bonds (distance) C4'-P energy: -169.141 bonds (distance) P-C4' energy: -179.876 flat angles C4'-P-C4' energy: -220.541 flat angles P-C4'-P energy: -153.108 tors. eta vs tors. theta energy: -306.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -3715.272861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3715.272861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3715.272861 (E_RNA) where: Base-Base interactions energy: -2683.598 where: short stacking energy: -1054.476 Base-Backbone interact. energy: -0.680 local terms energy: -1030.994639 where: bonds (distance) C4'-P energy: -173.703 bonds (distance) P-C4' energy: -183.301 flat angles C4'-P-C4' energy: -208.585 flat angles P-C4'-P energy: -159.280 tors. eta vs tors. theta energy: -306.125 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -3652.736532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3652.736532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3652.736532 (E_RNA) where: Base-Base interactions energy: -2686.304 where: short stacking energy: -1026.518 Base-Backbone interact. energy: -1.374 local terms energy: -965.058326 where: bonds (distance) C4'-P energy: -162.324 bonds (distance) P-C4' energy: -165.679 flat angles C4'-P-C4' energy: -208.185 flat angles P-C4'-P energy: -138.707 tors. eta vs tors. theta energy: -290.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -3571.974654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3571.974654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3571.974654 (E_RNA) where: Base-Base interactions energy: -2612.525 where: short stacking energy: -1014.515 Base-Backbone interact. energy: -2.020 local terms energy: -957.429896 where: bonds (distance) C4'-P energy: -141.921 bonds (distance) P-C4' energy: -166.642 flat angles C4'-P-C4' energy: -217.158 flat angles P-C4'-P energy: -134.274 tors. eta vs tors. theta energy: -297.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -3465.882893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3465.882893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3465.882893 (E_RNA) where: Base-Base interactions energy: -2528.527 where: short stacking energy: -972.211 Base-Backbone interact. energy: -0.530 local terms energy: -936.825792 where: bonds (distance) C4'-P energy: -146.722 bonds (distance) P-C4' energy: -145.241 flat angles C4'-P-C4' energy: -206.700 flat angles P-C4'-P energy: -144.866 tors. eta vs tors. theta energy: -293.296 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: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -3392.182847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3392.182847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3392.182847 (E_RNA) where: Base-Base interactions energy: -2466.881 where: short stacking energy: -954.009 Base-Backbone interact. energy: -2.272 local terms energy: -923.029143 where: bonds (distance) C4'-P energy: -148.202 bonds (distance) P-C4' energy: -165.609 flat angles C4'-P-C4' energy: -202.241 flat angles P-C4'-P energy: -129.473 tors. eta vs tors. theta energy: -277.504 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: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -3318.797064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.797064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.797064 (E_RNA) where: Base-Base interactions energy: -2468.678 where: short stacking energy: -940.424 Base-Backbone interact. energy: 4.360 local terms energy: -854.478944 where: bonds (distance) C4'-P energy: -145.981 bonds (distance) P-C4' energy: -132.252 flat angles C4'-P-C4' energy: -174.869 flat angles P-C4'-P energy: -120.611 tors. eta vs tors. theta energy: -280.766 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: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -3060.192296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.192296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.192296 (E_RNA) where: Base-Base interactions energy: -2214.095 where: short stacking energy: -865.203 Base-Backbone interact. energy: -0.476 local terms energy: -845.621609 where: bonds (distance) C4'-P energy: -154.313 bonds (distance) P-C4' energy: -140.150 flat angles C4'-P-C4' energy: -172.792 flat angles P-C4'-P energy: -122.454 tors. eta vs tors. theta energy: -255.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -2671.180830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.180830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.180830 (E_RNA) where: Base-Base interactions energy: -1908.304 where: short stacking energy: -764.493 Base-Backbone interact. energy: 6.714 local terms energy: -769.591057 where: bonds (distance) C4'-P energy: -133.877 bonds (distance) P-C4' energy: -143.076 flat angles C4'-P-C4' energy: -164.566 flat angles P-C4'-P energy: -116.506 tors. eta vs tors. theta energy: -211.566 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: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3916.538975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3916.538975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3916.538975 (E_RNA) where: Base-Base interactions energy: -2857.854 where: short stacking energy: -1108.553 Base-Backbone interact. energy: -3.254 local terms energy: -1055.431158 where: bonds (distance) C4'-P energy: -172.584 bonds (distance) P-C4' energy: -188.487 flat angles C4'-P-C4' energy: -227.008 flat angles P-C4'-P energy: -153.032 tors. eta vs tors. theta energy: -314.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3826.102473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3826.102473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3826.102473 (E_RNA) where: Base-Base interactions energy: -2800.461 where: short stacking energy: -1075.476 Base-Backbone interact. energy: -3.596 local terms energy: -1022.045690 where: bonds (distance) C4'-P energy: -186.527 bonds (distance) P-C4' energy: -168.687 flat angles C4'-P-C4' energy: -224.584 flat angles P-C4'-P energy: -141.049 tors. eta vs tors. theta energy: -301.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -3695.677851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3695.677851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3695.677851 (E_RNA) where: Base-Base interactions energy: -2699.398 where: short stacking energy: -1050.888 Base-Backbone interact. energy: -2.132 local terms energy: -994.147206 where: bonds (distance) C4'-P energy: -168.424 bonds (distance) P-C4' energy: -170.293 flat angles C4'-P-C4' energy: -217.395 flat angles P-C4'-P energy: -140.478 tors. eta vs tors. theta energy: -297.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -3706.478142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3706.478142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3706.478142 (E_RNA) where: Base-Base interactions energy: -2713.178 where: short stacking energy: -1022.455 Base-Backbone interact. energy: -1.870 local terms energy: -991.429921 where: bonds (distance) C4'-P energy: -170.078 bonds (distance) P-C4' energy: -161.083 flat angles C4'-P-C4' energy: -215.233 flat angles P-C4'-P energy: -140.594 tors. eta vs tors. theta energy: -304.442 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: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -3551.840926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3551.840926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3551.840926 (E_RNA) where: Base-Base interactions energy: -2579.524 where: short stacking energy: -999.090 Base-Backbone interact. energy: 0.857 local terms energy: -973.174536 where: bonds (distance) C4'-P energy: -157.025 bonds (distance) P-C4' energy: -171.887 flat angles C4'-P-C4' energy: -208.327 flat angles P-C4'-P energy: -154.166 tors. eta vs tors. theta energy: -281.769 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: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -3473.914398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.914398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.914398 (E_RNA) where: Base-Base interactions energy: -2515.707 where: short stacking energy: -976.544 Base-Backbone interact. energy: -1.348 local terms energy: -956.859145 where: bonds (distance) C4'-P energy: -135.858 bonds (distance) P-C4' energy: -172.452 flat angles C4'-P-C4' energy: -207.423 flat angles P-C4'-P energy: -151.717 tors. eta vs tors. theta energy: -289.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -3398.759077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3398.759077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3398.759077 (E_RNA) where: Base-Base interactions energy: -2466.887 where: short stacking energy: -942.231 Base-Backbone interact. energy: 0.992 local terms energy: -932.863600 where: bonds (distance) C4'-P energy: -156.020 bonds (distance) P-C4' energy: -171.881 flat angles C4'-P-C4' energy: -196.788 flat angles P-C4'-P energy: -130.356 tors. eta vs tors. theta energy: -277.820 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: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -3329.467394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.467394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.467394 (E_RNA) where: Base-Base interactions energy: -2428.037 where: short stacking energy: -938.972 Base-Backbone interact. energy: -0.785 local terms energy: -900.646120 where: bonds (distance) C4'-P energy: -150.013 bonds (distance) P-C4' energy: -143.108 flat angles C4'-P-C4' energy: -197.099 flat angles P-C4'-P energy: -128.174 tors. eta vs tors. theta energy: -282.251 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: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -2993.549393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.549393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.549393 (E_RNA) where: Base-Base interactions energy: -2166.328 where: short stacking energy: -841.160 Base-Backbone interact. energy: -2.604 local terms energy: -824.618226 where: bonds (distance) C4'-P energy: -151.981 bonds (distance) P-C4' energy: -137.394 flat angles C4'-P-C4' energy: -187.484 flat angles P-C4'-P energy: -101.945 tors. eta vs tors. theta energy: -245.813 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: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -2583.545359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.545359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.545359 (E_RNA) where: Base-Base interactions energy: -1853.303 where: short stacking energy: -714.645 Base-Backbone interact. energy: -0.847 local terms energy: -729.396006 where: bonds (distance) C4'-P energy: -109.297 bonds (distance) P-C4' energy: -153.458 flat angles C4'-P-C4' energy: -174.914 flat angles P-C4'-P energy: -98.242 tors. eta vs tors. theta energy: -193.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3890.286620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.286620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.286620 (E_RNA) where: Base-Base interactions energy: -2817.409 where: short stacking energy: -1085.976 Base-Backbone interact. energy: -4.726 local terms energy: -1068.151298 where: bonds (distance) C4'-P energy: -193.982 bonds (distance) P-C4' energy: -186.798 flat angles C4'-P-C4' energy: -227.932 flat angles P-C4'-P energy: -148.321 tors. eta vs tors. theta energy: -311.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3816.916362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3816.916362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3816.916362 (E_RNA) where: Base-Base interactions energy: -2780.097 where: short stacking energy: -1058.445 Base-Backbone interact. energy: -3.112 local terms energy: -1033.706935 where: bonds (distance) C4'-P energy: -182.556 bonds (distance) P-C4' energy: -167.837 flat angles C4'-P-C4' energy: -217.113 flat angles P-C4'-P energy: -166.304 tors. eta vs tors. theta energy: -299.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -3699.336525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3699.336525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3699.336525 (E_RNA) where: Base-Base interactions energy: -2709.597 where: short stacking energy: -1039.843 Base-Backbone interact. energy: 5.429 local terms energy: -995.168398 where: bonds (distance) C4'-P energy: -173.309 bonds (distance) P-C4' energy: -158.420 flat angles C4'-P-C4' energy: -223.501 flat angles P-C4'-P energy: -135.186 tors. eta vs tors. theta energy: -304.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -3669.807941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3669.807941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3669.807941 (E_RNA) where: Base-Base interactions energy: -2678.038 where: short stacking energy: -1033.750 Base-Backbone interact. energy: -2.575 local terms energy: -989.194444 where: bonds (distance) C4'-P energy: -176.080 bonds (distance) P-C4' energy: -160.907 flat angles C4'-P-C4' energy: -209.778 flat angles P-C4'-P energy: -147.074 tors. eta vs tors. theta energy: -295.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -3583.773433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3583.773433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3583.773433 (E_RNA) where: Base-Base interactions energy: -2604.718 where: short stacking energy: -1029.923 Base-Backbone interact. energy: 1.428 local terms energy: -980.483452 where: bonds (distance) C4'-P energy: -167.804 bonds (distance) P-C4' energy: -158.883 flat angles C4'-P-C4' energy: -211.738 flat angles P-C4'-P energy: -132.092 tors. eta vs tors. theta energy: -309.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -3439.572124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.572124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.572124 (E_RNA) where: Base-Base interactions energy: -2512.268 where: short stacking energy: -982.428 Base-Backbone interact. energy: 0.640 local terms energy: -927.944105 where: bonds (distance) C4'-P energy: -148.764 bonds (distance) P-C4' energy: -158.574 flat angles C4'-P-C4' energy: -185.623 flat angles P-C4'-P energy: -131.102 tors. eta vs tors. theta energy: -303.881 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: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -3364.907347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.907347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.907347 (E_RNA) where: Base-Base interactions energy: -2482.511 where: short stacking energy: -950.489 Base-Backbone interact. energy: 1.742 local terms energy: -884.138172 where: bonds (distance) C4'-P energy: -147.311 bonds (distance) P-C4' energy: -149.048 flat angles C4'-P-C4' energy: -187.836 flat angles P-C4'-P energy: -132.200 tors. eta vs tors. theta energy: -267.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -3288.254897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.254897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.254897 (E_RNA) where: Base-Base interactions energy: -2410.650 where: short stacking energy: -942.387 Base-Backbone interact. energy: 2.116 local terms energy: -879.721395 where: bonds (distance) C4'-P energy: -143.702 bonds (distance) P-C4' energy: -141.694 flat angles C4'-P-C4' energy: -192.614 flat angles P-C4'-P energy: -118.767 tors. eta vs tors. theta energy: -282.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -3048.270238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.270238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.270238 (E_RNA) where: Base-Base interactions energy: -2233.791 where: short stacking energy: -870.494 Base-Backbone interact. energy: 4.968 local terms energy: -819.447612 where: bonds (distance) C4'-P energy: -130.378 bonds (distance) P-C4' energy: -151.335 flat angles C4'-P-C4' energy: -186.312 flat angles P-C4'-P energy: -97.462 tors. eta vs tors. theta energy: -253.960 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: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -2599.904592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.904592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.904592 (E_RNA) where: Base-Base interactions energy: -1822.114 where: short stacking energy: -736.368 Base-Backbone interact. energy: -0.927 local terms energy: -776.864020 where: bonds (distance) C4'-P energy: -143.588 bonds (distance) P-C4' energy: -121.659 flat angles C4'-P-C4' energy: -189.377 flat angles P-C4'-P energy: -122.493 tors. eta vs tors. theta energy: -199.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3882.590958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3882.590958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3882.590958 (E_RNA) where: Base-Base interactions energy: -2833.246 where: short stacking energy: -1070.901 Base-Backbone interact. energy: -2.657 local terms energy: -1046.688751 where: bonds (distance) C4'-P energy: -169.794 bonds (distance) P-C4' energy: -183.738 flat angles C4'-P-C4' energy: -213.393 flat angles P-C4'-P energy: -167.570 tors. eta vs tors. theta energy: -312.194 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: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -3868.184517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3868.184517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3868.184517 (E_RNA) where: Base-Base interactions energy: -2829.488 where: short stacking energy: -1094.708 Base-Backbone interact. energy: -3.353 local terms energy: -1035.344278 where: bonds (distance) C4'-P energy: -171.690 bonds (distance) P-C4' energy: -164.375 flat angles C4'-P-C4' energy: -230.104 flat angles P-C4'-P energy: -151.016 tors. eta vs tors. theta energy: -318.160 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: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -3724.886341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3724.886341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3724.886341 (E_RNA) where: Base-Base interactions energy: -2746.368 where: short stacking energy: -1047.666 Base-Backbone interact. energy: 0.247 local terms energy: -978.765279 where: bonds (distance) C4'-P energy: -158.409 bonds (distance) P-C4' energy: -166.360 flat angles C4'-P-C4' energy: -204.731 flat angles P-C4'-P energy: -151.432 tors. eta vs tors. theta energy: -297.833 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -3647.234184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3647.234184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3647.234184 (E_RNA) where: Base-Base interactions energy: -2667.454 where: short stacking energy: -1020.717 Base-Backbone interact. energy: 8.666 local terms energy: -988.446467 where: bonds (distance) C4'-P energy: -161.252 bonds (distance) P-C4' energy: -178.032 flat angles C4'-P-C4' energy: -207.169 flat angles P-C4'-P energy: -146.153 tors. eta vs tors. theta energy: -295.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -3538.005648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3538.005648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3538.005648 (E_RNA) where: Base-Base interactions energy: -2584.708 where: short stacking energy: -977.453 Base-Backbone interact. energy: -0.277 local terms energy: -953.020443 where: bonds (distance) C4'-P energy: -150.496 bonds (distance) P-C4' energy: -168.549 flat angles C4'-P-C4' energy: -207.654 flat angles P-C4'-P energy: -132.845 tors. eta vs tors. theta energy: -293.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -3463.333969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3463.333969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3463.333969 (E_RNA) where: Base-Base interactions energy: -2509.420 where: short stacking energy: -980.584 Base-Backbone interact. energy: -1.501 local terms energy: -952.412879 where: bonds (distance) C4'-P energy: -140.029 bonds (distance) P-C4' energy: -177.846 flat angles C4'-P-C4' energy: -198.287 flat angles P-C4'-P energy: -142.126 tors. eta vs tors. theta energy: -294.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -3394.127225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3394.127225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3394.127225 (E_RNA) where: Base-Base interactions energy: -2482.922 where: short stacking energy: -967.057 Base-Backbone interact. energy: 3.304 local terms energy: -914.509927 where: bonds (distance) C4'-P energy: -158.133 bonds (distance) P-C4' energy: -149.781 flat angles C4'-P-C4' energy: -210.455 flat angles P-C4'-P energy: -125.961 tors. eta vs tors. theta energy: -270.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -3292.514458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.514458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.514458 (E_RNA) where: Base-Base interactions energy: -2408.775 where: short stacking energy: -921.402 Base-Backbone interact. energy: -0.902 local terms energy: -882.837666 where: bonds (distance) C4'-P energy: -129.202 bonds (distance) P-C4' energy: -152.002 flat angles C4'-P-C4' energy: -185.886 flat angles P-C4'-P energy: -133.393 tors. eta vs tors. theta energy: -282.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -2996.419449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.419449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.419449 (E_RNA) where: Base-Base interactions energy: -2178.167 where: short stacking energy: -844.177 Base-Backbone interact. energy: 6.887 local terms energy: -825.139073 where: bonds (distance) C4'-P energy: -129.290 bonds (distance) P-C4' energy: -132.181 flat angles C4'-P-C4' energy: -191.554 flat angles P-C4'-P energy: -122.829 tors. eta vs tors. theta energy: -249.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -2628.784420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.784420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.784420 (E_RNA) where: Base-Base interactions energy: -1834.027 where: short stacking energy: -749.284 Base-Backbone interact. energy: -2.983 local terms energy: -791.774832 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -138.841 flat angles C4'-P-C4' energy: -188.471 flat angles P-C4'-P energy: -106.306 tors. eta vs tors. theta energy: -208.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3900.995377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3900.995377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3900.995377 (E_RNA) where: Base-Base interactions energy: -2813.849 where: short stacking energy: -1082.764 Base-Backbone interact. energy: -2.030 local terms energy: -1085.116430 where: bonds (distance) C4'-P energy: -198.209 bonds (distance) P-C4' energy: -180.335 flat angles C4'-P-C4' energy: -221.538 flat angles P-C4'-P energy: -159.364 tors. eta vs tors. theta energy: -325.671 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: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -3853.815651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3853.815651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3853.815651 (E_RNA) where: Base-Base interactions energy: -2817.398 where: short stacking energy: -1074.750 Base-Backbone interact. energy: -3.972 local terms energy: -1032.445991 where: bonds (distance) C4'-P energy: -170.714 bonds (distance) P-C4' energy: -179.291 flat angles C4'-P-C4' energy: -222.218 flat angles P-C4'-P energy: -149.686 tors. eta vs tors. theta energy: -310.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -3723.218862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3723.218862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3723.218862 (E_RNA) where: Base-Base interactions energy: -2709.204 where: short stacking energy: -1039.016 Base-Backbone interact. energy: -3.350 local terms energy: -1010.665309 where: bonds (distance) C4'-P energy: -166.311 bonds (distance) P-C4' energy: -182.581 flat angles C4'-P-C4' energy: -214.856 flat angles P-C4'-P energy: -139.053 tors. eta vs tors. theta energy: -307.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -3682.071150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3682.071150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3682.071150 (E_RNA) where: Base-Base interactions energy: -2675.146 where: short stacking energy: -1033.301 Base-Backbone interact. energy: 0.343 local terms energy: -1007.267580 where: bonds (distance) C4'-P energy: -187.729 bonds (distance) P-C4' energy: -178.197 flat angles C4'-P-C4' energy: -194.336 flat angles P-C4'-P energy: -139.204 tors. eta vs tors. theta energy: -307.801 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: 475 Temperature: 1.100000 Total energy: -3538.559804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3538.559804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3538.559804 (E_RNA) where: Base-Base interactions energy: -2577.499 where: short stacking energy: -998.103 Base-Backbone interact. energy: -2.452 local terms energy: -958.608921 where: bonds (distance) C4'-P energy: -160.220 bonds (distance) P-C4' energy: -155.227 flat angles C4'-P-C4' energy: -204.612 flat angles P-C4'-P energy: -139.305 tors. eta vs tors. theta energy: -299.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -3473.179089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.179089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.179089 (E_RNA) where: Base-Base interactions energy: -2557.418 where: short stacking energy: -999.762 Base-Backbone interact. energy: 1.683 local terms energy: -917.444032 where: bonds (distance) C4'-P energy: -142.913 bonds (distance) P-C4' energy: -141.210 flat angles C4'-P-C4' energy: -209.236 flat angles P-C4'-P energy: -129.091 tors. eta vs tors. theta energy: -294.994 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: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -3406.516625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3406.516625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3406.516625 (E_RNA) where: Base-Base interactions energy: -2482.737 where: short stacking energy: -954.191 Base-Backbone interact. energy: 4.517 local terms energy: -928.296768 where: bonds (distance) C4'-P energy: -147.850 bonds (distance) P-C4' energy: -163.429 flat angles C4'-P-C4' energy: -191.552 flat angles P-C4'-P energy: -134.618 tors. eta vs tors. theta energy: -290.848 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: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -3343.807872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3343.807872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3343.807872 (E_RNA) where: Base-Base interactions energy: -2430.308 where: short stacking energy: -970.389 Base-Backbone interact. energy: 4.294 local terms energy: -917.794518 where: bonds (distance) C4'-P energy: -166.886 bonds (distance) P-C4' energy: -160.061 flat angles C4'-P-C4' energy: -200.547 flat angles P-C4'-P energy: -105.560 tors. eta vs tors. theta energy: -284.740 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: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -3058.859697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.859697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.859697 (E_RNA) where: Base-Base interactions energy: -2218.724 where: short stacking energy: -873.202 Base-Backbone interact. energy: 8.647 local terms energy: -848.782482 where: bonds (distance) C4'-P energy: -134.132 bonds (distance) P-C4' energy: -144.130 flat angles C4'-P-C4' energy: -194.024 flat angles P-C4'-P energy: -117.753 tors. eta vs tors. theta energy: -258.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -2571.643114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.643114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.643114 (E_RNA) where: Base-Base interactions energy: -1818.742 where: short stacking energy: -699.090 Base-Backbone interact. energy: 2.514 local terms energy: -755.415586 where: bonds (distance) C4'-P energy: -146.192 bonds (distance) P-C4' energy: -150.003 flat angles C4'-P-C4' energy: -156.502 flat angles P-C4'-P energy: -100.115 tors. eta vs tors. theta energy: -202.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3901.068402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3901.068402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3901.068402 (E_RNA) where: Base-Base interactions energy: -2831.095 where: short stacking energy: -1092.866 Base-Backbone interact. energy: -0.131 local terms energy: -1069.842594 where: bonds (distance) C4'-P energy: -197.445 bonds (distance) P-C4' energy: -186.598 flat angles C4'-P-C4' energy: -217.135 flat angles P-C4'-P energy: -151.551 tors. eta vs tors. theta energy: -317.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -3849.664193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3849.664193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3849.664193 (E_RNA) where: Base-Base interactions energy: -2809.300 where: short stacking energy: -1078.526 Base-Backbone interact. energy: 0.316 local terms energy: -1040.679724 where: bonds (distance) C4'-P energy: -188.730 bonds (distance) P-C4' energy: -181.606 flat angles C4'-P-C4' energy: -214.028 flat angles P-C4'-P energy: -148.249 tors. eta vs tors. theta energy: -308.067 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: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -3729.090121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3729.090121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3729.090121 (E_RNA) where: Base-Base interactions energy: -2707.165 where: short stacking energy: -1041.819 Base-Backbone interact. energy: -3.227 local terms energy: -1018.697926 where: bonds (distance) C4'-P energy: -194.676 bonds (distance) P-C4' energy: -177.137 flat angles C4'-P-C4' energy: -202.312 flat angles P-C4'-P energy: -148.541 tors. eta vs tors. theta energy: -296.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -3667.734683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3667.734683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3667.734683 (E_RNA) where: Base-Base interactions energy: -2669.029 where: short stacking energy: -1036.255 Base-Backbone interact. energy: -2.339 local terms energy: -996.366182 where: bonds (distance) C4'-P energy: -153.088 bonds (distance) P-C4' energy: -181.491 flat angles C4'-P-C4' energy: -204.940 flat angles P-C4'-P energy: -147.405 tors. eta vs tors. theta energy: -309.441 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: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -3514.126791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3514.126791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3514.126791 (E_RNA) where: Base-Base interactions energy: -2549.344 where: short stacking energy: -994.213 Base-Backbone interact. energy: -1.881 local terms energy: -962.901484 where: bonds (distance) C4'-P energy: -168.372 bonds (distance) P-C4' energy: -165.528 flat angles C4'-P-C4' energy: -203.914 flat angles P-C4'-P energy: -125.662 tors. eta vs tors. theta energy: -299.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -3515.098484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.098484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.098484 (E_RNA) where: Base-Base interactions energy: -2568.210 where: short stacking energy: -991.742 Base-Backbone interact. energy: 2.132 local terms energy: -949.020069 where: bonds (distance) C4'-P energy: -152.881 bonds (distance) P-C4' energy: -160.630 flat angles C4'-P-C4' energy: -205.353 flat angles P-C4'-P energy: -131.730 tors. eta vs tors. theta energy: -298.426 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: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -3377.849281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3377.849281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3377.849281 (E_RNA) where: Base-Base interactions energy: -2456.017 where: short stacking energy: -975.276 Base-Backbone interact. energy: 1.507 local terms energy: -923.339288 where: bonds (distance) C4'-P energy: -161.870 bonds (distance) P-C4' energy: -146.424 flat angles C4'-P-C4' energy: -205.873 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -287.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -3302.546390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.546390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.546390 (E_RNA) where: Base-Base interactions energy: -2407.761 where: short stacking energy: -933.028 Base-Backbone interact. energy: -0.736 local terms energy: -894.049173 where: bonds (distance) C4'-P energy: -150.136 bonds (distance) P-C4' energy: -167.587 flat angles C4'-P-C4' energy: -187.239 flat angles P-C4'-P energy: -114.019 tors. eta vs tors. theta energy: -275.069 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: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -3076.767310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.767310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.767310 (E_RNA) where: Base-Base interactions energy: -2252.613 where: short stacking energy: -817.605 Base-Backbone interact. energy: 1.494 local terms energy: -825.648500 where: bonds (distance) C4'-P energy: -164.274 bonds (distance) P-C4' energy: -124.804 flat angles C4'-P-C4' energy: -177.915 flat angles P-C4'-P energy: -107.778 tors. eta vs tors. theta energy: -250.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -2622.985885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.985885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.985885 (E_RNA) where: Base-Base interactions energy: -1869.792 where: short stacking energy: -735.827 Base-Backbone interact. energy: -0.624 local terms energy: -752.569998 where: bonds (distance) C4'-P energy: -130.015 bonds (distance) P-C4' energy: -157.095 flat angles C4'-P-C4' energy: -172.218 flat angles P-C4'-P energy: -94.560 tors. eta vs tors. theta energy: -198.682 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: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3885.119302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3885.119302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3885.119302 (E_RNA) where: Base-Base interactions energy: -2821.215 where: short stacking energy: -1087.534 Base-Backbone interact. energy: -5.464 local terms energy: -1058.440244 where: bonds (distance) C4'-P energy: -171.159 bonds (distance) P-C4' energy: -202.701 flat angles C4'-P-C4' energy: -224.432 flat angles P-C4'-P energy: -149.134 tors. eta vs tors. theta energy: -311.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -3873.229736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3873.229736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3873.229736 (E_RNA) where: Base-Base interactions energy: -2824.188 where: short stacking energy: -1073.920 Base-Backbone interact. energy: -1.249 local terms energy: -1047.791937 where: bonds (distance) C4'-P energy: -179.247 bonds (distance) P-C4' energy: -192.478 flat angles C4'-P-C4' energy: -219.657 flat angles P-C4'-P energy: -141.309 tors. eta vs tors. theta energy: -315.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -3716.077847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3716.077847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3716.077847 (E_RNA) where: Base-Base interactions energy: -2727.697 where: short stacking energy: -1037.729 Base-Backbone interact. energy: 0.056 local terms energy: -988.437537 where: bonds (distance) C4'-P energy: -171.271 bonds (distance) P-C4' energy: -171.586 flat angles C4'-P-C4' energy: -196.718 flat angles P-C4'-P energy: -151.996 tors. eta vs tors. theta energy: -296.866 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: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -3653.706320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3653.706320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3653.706320 (E_RNA) where: Base-Base interactions energy: -2660.767 where: short stacking energy: -1047.402 Base-Backbone interact. energy: -4.407 local terms energy: -988.531426 where: bonds (distance) C4'-P energy: -159.545 bonds (distance) P-C4' energy: -175.606 flat angles C4'-P-C4' energy: -206.991 flat angles P-C4'-P energy: -136.356 tors. eta vs tors. theta energy: -310.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -3525.929255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3525.929255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3525.929255 (E_RNA) where: Base-Base interactions energy: -2549.418 where: short stacking energy: -1000.746 Base-Backbone interact. energy: -1.701 local terms energy: -974.810265 where: bonds (distance) C4'-P energy: -165.004 bonds (distance) P-C4' energy: -165.241 flat angles C4'-P-C4' energy: -205.238 flat angles P-C4'-P energy: -142.161 tors. eta vs tors. theta energy: -297.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -3479.827445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.827445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.827445 (E_RNA) where: Base-Base interactions energy: -2533.217 where: short stacking energy: -993.738 Base-Backbone interact. energy: -0.797 local terms energy: -945.813315 where: bonds (distance) C4'-P energy: -148.129 bonds (distance) P-C4' energy: -154.530 flat angles C4'-P-C4' energy: -201.412 flat angles P-C4'-P energy: -148.822 tors. eta vs tors. theta energy: -292.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -3338.387325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3338.387325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3338.387325 (E_RNA) where: Base-Base interactions energy: -2410.040 where: short stacking energy: -920.456 Base-Backbone interact. energy: 1.610 local terms energy: -929.957137 where: bonds (distance) C4'-P energy: -182.006 bonds (distance) P-C4' energy: -159.199 flat angles C4'-P-C4' energy: -181.624 flat angles P-C4'-P energy: -131.928 tors. eta vs tors. theta energy: -275.200 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: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -3226.749016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.749016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.749016 (E_RNA) where: Base-Base interactions energy: -2368.605 where: short stacking energy: -891.398 Base-Backbone interact. energy: 0.809 local terms energy: -858.952748 where: bonds (distance) C4'-P energy: -139.762 bonds (distance) P-C4' energy: -155.724 flat angles C4'-P-C4' energy: -183.627 flat angles P-C4'-P energy: -116.830 tors. eta vs tors. theta energy: -263.010 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: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -3105.036883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.036883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.036883 (E_RNA) where: Base-Base interactions energy: -2274.161 where: short stacking energy: -889.146 Base-Backbone interact. energy: 0.159 local terms energy: -831.035320 where: bonds (distance) C4'-P energy: -143.206 bonds (distance) P-C4' energy: -154.195 flat angles C4'-P-C4' energy: -170.047 flat angles P-C4'-P energy: -106.547 tors. eta vs tors. theta energy: -257.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -2606.860689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.860689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.860689 (E_RNA) where: Base-Base interactions energy: -1861.788 where: short stacking energy: -717.723 Base-Backbone interact. energy: -2.678 local terms energy: -742.394363 where: bonds (distance) C4'-P energy: -135.714 bonds (distance) P-C4' energy: -161.118 flat angles C4'-P-C4' energy: -166.460 flat angles P-C4'-P energy: -93.692 tors. eta vs tors. theta energy: -185.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3886.119329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3886.119329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3886.119329 (E_RNA) where: Base-Base interactions energy: -2838.597 where: short stacking energy: -1092.620 Base-Backbone interact. energy: -0.895 local terms energy: -1046.627786 where: bonds (distance) C4'-P energy: -186.650 bonds (distance) P-C4' energy: -170.783 flat angles C4'-P-C4' energy: -227.605 flat angles P-C4'-P energy: -148.278 tors. eta vs tors. theta energy: -313.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -3839.916239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3839.916239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3839.916239 (E_RNA) where: Base-Base interactions energy: -2787.638 where: short stacking energy: -1063.829 Base-Backbone interact. energy: -3.332 local terms energy: -1048.946302 where: bonds (distance) C4'-P energy: -185.463 bonds (distance) P-C4' energy: -180.471 flat angles C4'-P-C4' energy: -209.159 flat angles P-C4'-P energy: -153.711 tors. eta vs tors. theta energy: -320.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -3707.820264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3707.820264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3707.820264 (E_RNA) where: Base-Base interactions energy: -2697.484 where: short stacking energy: -1054.456 Base-Backbone interact. energy: -0.992 local terms energy: -1009.345145 where: bonds (distance) C4'-P energy: -168.192 bonds (distance) P-C4' energy: -170.318 flat angles C4'-P-C4' energy: -212.907 flat angles P-C4'-P energy: -152.272 tors. eta vs tors. theta energy: -305.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -3657.019145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3657.019145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3657.019145 (E_RNA) where: Base-Base interactions energy: -2680.129 where: short stacking energy: -1016.674 Base-Backbone interact. energy: -3.859 local terms energy: -973.031166 where: bonds (distance) C4'-P energy: -164.993 bonds (distance) P-C4' energy: -167.109 flat angles C4'-P-C4' energy: -210.830 flat angles P-C4'-P energy: -136.996 tors. eta vs tors. theta energy: -293.104 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: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -3528.747594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3528.747594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3528.747594 (E_RNA) where: Base-Base interactions energy: -2582.582 where: short stacking energy: -1026.469 Base-Backbone interact. energy: -1.152 local terms energy: -945.014415 where: bonds (distance) C4'-P energy: -140.378 bonds (distance) P-C4' energy: -172.746 flat angles C4'-P-C4' energy: -200.071 flat angles P-C4'-P energy: -126.845 tors. eta vs tors. theta energy: -304.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -3462.992728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.992728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.992728 (E_RNA) where: Base-Base interactions energy: -2522.615 where: short stacking energy: -973.253 Base-Backbone interact. energy: -2.126 local terms energy: -938.251392 where: bonds (distance) C4'-P energy: -138.255 bonds (distance) P-C4' energy: -174.175 flat angles C4'-P-C4' energy: -198.560 flat angles P-C4'-P energy: -135.829 tors. eta vs tors. theta energy: -291.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -3369.649448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.649448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.649448 (E_RNA) where: Base-Base interactions energy: -2455.877 where: short stacking energy: -961.653 Base-Backbone interact. energy: -0.654 local terms energy: -913.117890 where: bonds (distance) C4'-P energy: -152.300 bonds (distance) P-C4' energy: -157.963 flat angles C4'-P-C4' energy: -187.992 flat angles P-C4'-P energy: -130.223 tors. eta vs tors. theta energy: -284.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -3320.312343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.312343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.312343 (E_RNA) where: Base-Base interactions energy: -2423.837 where: short stacking energy: -937.035 Base-Backbone interact. energy: 2.843 local terms energy: -899.318313 where: bonds (distance) C4'-P energy: -162.340 bonds (distance) P-C4' energy: -150.237 flat angles C4'-P-C4' energy: -181.714 flat angles P-C4'-P energy: -127.211 tors. eta vs tors. theta energy: -277.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -3060.649293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.649293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.649293 (E_RNA) where: Base-Base interactions energy: -2228.612 where: short stacking energy: -866.374 Base-Backbone interact. energy: -0.755 local terms energy: -831.282537 where: bonds (distance) C4'-P energy: -145.802 bonds (distance) P-C4' energy: -139.263 flat angles C4'-P-C4' energy: -176.066 flat angles P-C4'-P energy: -117.075 tors. eta vs tors. theta energy: -253.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -2631.288257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.288257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.288257 (E_RNA) where: Base-Base interactions energy: -1857.130 where: short stacking energy: -755.805 Base-Backbone interact. energy: -2.113 local terms energy: -772.045293 where: bonds (distance) C4'-P energy: -141.035 bonds (distance) P-C4' energy: -132.174 flat angles C4'-P-C4' energy: -181.148 flat angles P-C4'-P energy: -116.574 tors. eta vs tors. theta energy: -201.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3906.701478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3906.701478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3906.701478 (E_RNA) where: Base-Base interactions energy: -2843.547 where: short stacking energy: -1085.101 Base-Backbone interact. energy: -0.299 local terms energy: -1062.855833 where: bonds (distance) C4'-P energy: -183.570 bonds (distance) P-C4' energy: -198.648 flat angles C4'-P-C4' energy: -221.975 flat angles P-C4'-P energy: -150.245 tors. eta vs tors. theta energy: -308.417 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: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -3831.772209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3831.772209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3831.772209 (E_RNA) where: Base-Base interactions energy: -2793.539 where: short stacking energy: -1060.537 Base-Backbone interact. energy: 1.782 local terms energy: -1040.014420 where: bonds (distance) C4'-P energy: -180.540 bonds (distance) P-C4' energy: -178.512 flat angles C4'-P-C4' energy: -222.045 flat angles P-C4'-P energy: -154.697 tors. eta vs tors. theta energy: -304.221 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: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -3695.922119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3695.922119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3695.922119 (E_RNA) where: Base-Base interactions energy: -2697.467 where: short stacking energy: -1031.122 Base-Backbone interact. energy: 2.941 local terms energy: -1001.396052 where: bonds (distance) C4'-P energy: -171.694 bonds (distance) P-C4' energy: -161.247 flat angles C4'-P-C4' energy: -227.779 flat angles P-C4'-P energy: -132.475 tors. eta vs tors. theta energy: -308.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -3664.406992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3664.406992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3664.406992 (E_RNA) where: Base-Base interactions energy: -2679.145 where: short stacking energy: -1043.695 Base-Backbone interact. energy: -2.541 local terms energy: -982.721281 where: bonds (distance) C4'-P energy: -158.576 bonds (distance) P-C4' energy: -175.580 flat angles C4'-P-C4' energy: -202.667 flat angles P-C4'-P energy: -129.199 tors. eta vs tors. theta energy: -316.700 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: 5, replica: 4 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -3575.769996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3575.769996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3575.769996 (E_RNA) where: Base-Base interactions energy: -2592.012 where: short stacking energy: -1013.000 Base-Backbone interact. energy: -0.671 local terms energy: -983.087145 where: bonds (distance) C4'-P energy: -180.344 bonds (distance) P-C4' energy: -172.647 flat angles C4'-P-C4' energy: -192.628 flat angles P-C4'-P energy: -139.644 tors. eta vs tors. theta energy: -297.824 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: 8 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -3473.180192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.180192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.180192 (E_RNA) where: Base-Base interactions energy: -2525.185 where: short stacking energy: -980.261 Base-Backbone interact. energy: -1.260 local terms energy: -946.734986 where: bonds (distance) C4'-P energy: -154.613 bonds (distance) P-C4' energy: -158.594 flat angles C4'-P-C4' energy: -210.230 flat angles P-C4'-P energy: -130.843 tors. eta vs tors. theta energy: -292.455 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: 7, replica: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -3350.771730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.771730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.771730 (E_RNA) where: Base-Base interactions energy: -2411.087 where: short stacking energy: -921.859 Base-Backbone interact. energy: -0.144 local terms energy: -939.540766 where: bonds (distance) C4'-P energy: -145.780 bonds (distance) P-C4' energy: -179.386 flat angles C4'-P-C4' energy: -183.842 flat angles P-C4'-P energy: -142.788 tors. eta vs tors. theta energy: -287.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -3263.747322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.747322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.747322 (E_RNA) where: Base-Base interactions energy: -2391.020 where: short stacking energy: -910.784 Base-Backbone interact. energy: -0.282 local terms energy: -872.446058 where: bonds (distance) C4'-P energy: -159.053 bonds (distance) P-C4' energy: -161.335 flat angles C4'-P-C4' energy: -172.273 flat angles P-C4'-P energy: -118.639 tors. eta vs tors. theta energy: -261.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -3038.216555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.216555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.216555 (E_RNA) where: Base-Base interactions energy: -2206.109 where: short stacking energy: -858.523 Base-Backbone interact. energy: -1.251 local terms energy: -830.856125 where: bonds (distance) C4'-P energy: -133.132 bonds (distance) P-C4' energy: -143.665 flat angles C4'-P-C4' energy: -173.442 flat angles P-C4'-P energy: -118.470 tors. eta vs tors. theta energy: -262.147 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: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -2564.832029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.832029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.832029 (E_RNA) where: Base-Base interactions energy: -1869.012 where: short stacking energy: -735.070 Base-Backbone interact. energy: 3.024 local terms energy: -698.844130 where: bonds (distance) C4'-P energy: -133.642 bonds (distance) P-C4' energy: -137.233 flat angles C4'-P-C4' energy: -152.496 flat angles P-C4'-P energy: -90.178 tors. eta vs tors. theta energy: -185.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3893.953597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3893.953597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3893.953597 (E_RNA) where: Base-Base interactions energy: -2850.128 where: short stacking energy: -1095.232 Base-Backbone interact. energy: -1.387 local terms energy: -1042.438255 where: bonds (distance) C4'-P energy: -185.000 bonds (distance) P-C4' energy: -183.841 flat angles C4'-P-C4' energy: -210.259 flat angles P-C4'-P energy: -150.749 tors. eta vs tors. theta energy: -312.588 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: 2, replica: 10 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -3839.581473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3839.581473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3839.581473 (E_RNA) where: Base-Base interactions energy: -2783.260 where: short stacking energy: -1060.944 Base-Backbone interact. energy: -3.925 local terms energy: -1052.396182 where: bonds (distance) C4'-P energy: -187.774 bonds (distance) P-C4' energy: -178.414 flat angles C4'-P-C4' energy: -216.742 flat angles P-C4'-P energy: -159.298 tors. eta vs tors. theta energy: -310.169 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: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -3706.816531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3706.816531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3706.816531 (E_RNA) where: Base-Base interactions energy: -2707.981 where: short stacking energy: -1046.027 Base-Backbone interact. energy: -1.627 local terms energy: -997.208487 where: bonds (distance) C4'-P energy: -169.679 bonds (distance) P-C4' energy: -163.307 flat angles C4'-P-C4' energy: -207.852 flat angles P-C4'-P energy: -145.359 tors. eta vs tors. theta energy: -311.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -3639.892733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3639.892733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3639.892733 (E_RNA) where: Base-Base interactions energy: -2666.661 where: short stacking energy: -1034.459 Base-Backbone interact. energy: 4.798 local terms energy: -978.030299 where: bonds (distance) C4'-P energy: -163.465 bonds (distance) P-C4' energy: -174.127 flat angles C4'-P-C4' energy: -208.396 flat angles P-C4'-P energy: -140.796 tors. eta vs tors. theta energy: -291.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -3596.119699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3596.119699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3596.119699 (E_RNA) where: Base-Base interactions energy: -2603.236 where: short stacking energy: -1024.229 Base-Backbone interact. energy: -1.765 local terms energy: -991.118656 where: bonds (distance) C4'-P energy: -174.194 bonds (distance) P-C4' energy: -165.571 flat angles C4'-P-C4' energy: -201.245 flat angles P-C4'-P energy: -140.607 tors. eta vs tors. theta energy: -309.501 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: 8 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -3450.437189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.437189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.437189 (E_RNA) where: Base-Base interactions energy: -2501.317 where: short stacking energy: -971.089 Base-Backbone interact. energy: 0.728 local terms energy: -949.848143 where: bonds (distance) C4'-P energy: -165.433 bonds (distance) P-C4' energy: -174.635 flat angles C4'-P-C4' energy: -193.800 flat angles P-C4'-P energy: -130.080 tors. eta vs tors. theta energy: -285.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -3351.300426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.300426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.300426 (E_RNA) where: Base-Base interactions energy: -2495.258 where: short stacking energy: -971.363 Base-Backbone interact. energy: -0.929 local terms energy: -855.113549 where: bonds (distance) C4'-P energy: -105.614 bonds (distance) P-C4' energy: -147.692 flat angles C4'-P-C4' energy: -184.305 flat angles P-C4'-P energy: -122.001 tors. eta vs tors. theta energy: -295.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -3289.038688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.038688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.038688 (E_RNA) where: Base-Base interactions energy: -2423.878 where: short stacking energy: -928.802 Base-Backbone interact. energy: 0.417 local terms energy: -865.577803 where: bonds (distance) C4'-P energy: -144.996 bonds (distance) P-C4' energy: -133.209 flat angles C4'-P-C4' energy: -179.847 flat angles P-C4'-P energy: -133.606 tors. eta vs tors. theta energy: -273.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -2975.008096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.008096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.008096 (E_RNA) where: Base-Base interactions energy: -2140.257 where: short stacking energy: -859.402 Base-Backbone interact. energy: -1.663 local terms energy: -833.088142 where: bonds (distance) C4'-P energy: -150.581 bonds (distance) P-C4' energy: -134.166 flat angles C4'-P-C4' energy: -190.096 flat angles P-C4'-P energy: -97.562 tors. eta vs tors. theta energy: -260.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -2473.189007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.189007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.189007 (E_RNA) where: Base-Base interactions energy: -1752.709 where: short stacking energy: -687.389 Base-Backbone interact. energy: 0.979 local terms energy: -721.458527 where: bonds (distance) C4'-P energy: -133.520 bonds (distance) P-C4' energy: -130.766 flat angles C4'-P-C4' energy: -176.698 flat angles P-C4'-P energy: -114.803 tors. eta vs tors. theta energy: -165.671 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: 1, replica: 1 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3902.632672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3902.632672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3902.632672 (E_RNA) where: Base-Base interactions energy: -2842.660 where: short stacking energy: -1089.097 Base-Backbone interact. energy: -0.152 local terms energy: -1059.820672 where: bonds (distance) C4'-P energy: -176.341 bonds (distance) P-C4' energy: -195.151 flat angles C4'-P-C4' energy: -217.065 flat angles P-C4'-P energy: -154.782 tors. eta vs tors. theta energy: -316.482 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: 5 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3810.242735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3810.242735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3810.242735 (E_RNA) where: Base-Base interactions energy: -2757.386 where: short stacking energy: -1081.047 Base-Backbone interact. energy: -1.804 local terms energy: -1051.053327 where: bonds (distance) C4'-P energy: -190.061 bonds (distance) P-C4' energy: -170.568 flat angles C4'-P-C4' energy: -213.877 flat angles P-C4'-P energy: -152.425 tors. eta vs tors. theta energy: -324.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -3779.924465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3779.924465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3779.924465 (E_RNA) where: Base-Base interactions energy: -2753.816 where: short stacking energy: -1044.609 Base-Backbone interact. energy: -4.121 local terms energy: -1021.986826 where: bonds (distance) C4'-P energy: -180.052 bonds (distance) P-C4' energy: -180.660 flat angles C4'-P-C4' energy: -206.290 flat angles P-C4'-P energy: -143.203 tors. eta vs tors. theta energy: -311.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -3640.170323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3640.170323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3640.170323 (E_RNA) where: Base-Base interactions energy: -2689.122 where: short stacking energy: -1021.667 Base-Backbone interact. energy: 6.829 local terms energy: -957.877958 where: bonds (distance) C4'-P energy: -161.945 bonds (distance) P-C4' energy: -188.084 flat angles C4'-P-C4' energy: -189.240 flat angles P-C4'-P energy: -118.369 tors. eta vs tors. theta energy: -300.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -3580.003337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3580.003337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3580.003337 (E_RNA) where: Base-Base interactions energy: -2593.983 where: short stacking energy: -1015.889 Base-Backbone interact. energy: 0.836 local terms energy: -986.856319 where: bonds (distance) C4'-P energy: -163.581 bonds (distance) P-C4' energy: -167.418 flat angles C4'-P-C4' energy: -205.277 flat angles P-C4'-P energy: -147.354 tors. eta vs tors. theta energy: -303.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -3483.726533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.726533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.726533 (E_RNA) where: Base-Base interactions energy: -2559.976 where: short stacking energy: -985.746 Base-Backbone interact. energy: -1.050 local terms energy: -922.700612 where: bonds (distance) C4'-P energy: -142.730 bonds (distance) P-C4' energy: -155.029 flat angles C4'-P-C4' energy: -188.041 flat angles P-C4'-P energy: -138.387 tors. eta vs tors. theta energy: -298.514 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: 481 Temperature: 1.200000 Total energy: -3352.912486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.912486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.912486 (E_RNA) where: Base-Base interactions energy: -2421.252 where: short stacking energy: -958.413 Base-Backbone interact. energy: -1.789 local terms energy: -929.871323 where: bonds (distance) C4'-P energy: -147.909 bonds (distance) P-C4' energy: -165.105 flat angles C4'-P-C4' energy: -209.080 flat angles P-C4'-P energy: -116.869 tors. eta vs tors. theta energy: -290.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -3250.095245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.095245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.095245 (E_RNA) where: Base-Base interactions energy: -2408.930 where: short stacking energy: -931.237 Base-Backbone interact. energy: -1.733 local terms energy: -839.431744 where: bonds (distance) C4'-P energy: -137.124 bonds (distance) P-C4' energy: -126.411 flat angles C4'-P-C4' energy: -190.651 flat angles P-C4'-P energy: -112.026 tors. eta vs tors. theta energy: -273.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -2988.178688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.178688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.178688 (E_RNA) where: Base-Base interactions energy: -2154.104 where: short stacking energy: -837.517 Base-Backbone interact. energy: 3.238 local terms energy: -837.312776 where: bonds (distance) C4'-P energy: -157.344 bonds (distance) P-C4' energy: -132.861 flat angles C4'-P-C4' energy: -191.286 flat angles P-C4'-P energy: -110.302 tors. eta vs tors. theta energy: -245.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -2587.529816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.529816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.529816 (E_RNA) where: Base-Base interactions energy: -1841.205 where: short stacking energy: -731.275 Base-Backbone interact. energy: -0.270 local terms energy: -746.054578 where: bonds (distance) C4'-P energy: -139.550 bonds (distance) P-C4' energy: -127.780 flat angles C4'-P-C4' energy: -172.083 flat angles P-C4'-P energy: -97.458 tors. eta vs tors. theta energy: -209.183 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: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3913.614835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3913.614835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3913.614835 (E_RNA) where: Base-Base interactions energy: -2849.489 where: short stacking energy: -1097.208 Base-Backbone interact. energy: 0.209 local terms energy: -1064.334737 where: bonds (distance) C4'-P energy: -179.834 bonds (distance) P-C4' energy: -183.917 flat angles C4'-P-C4' energy: -219.844 flat angles P-C4'-P energy: -155.809 tors. eta vs tors. theta energy: -324.930 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: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -3773.874922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3773.874922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3773.874922 (E_RNA) where: Base-Base interactions energy: -2740.999 where: short stacking energy: -1058.047 Base-Backbone interact. energy: -3.636 local terms energy: -1029.240065 where: bonds (distance) C4'-P energy: -180.912 bonds (distance) P-C4' energy: -169.300 flat angles C4'-P-C4' energy: -221.018 flat angles P-C4'-P energy: -143.112 tors. eta vs tors. theta energy: -314.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -3741.450523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3741.450523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3741.450523 (E_RNA) where: Base-Base interactions energy: -2743.425 where: short stacking energy: -1042.026 Base-Backbone interact. energy: -2.473 local terms energy: -995.552741 where: bonds (distance) C4'-P energy: -188.516 bonds (distance) P-C4' energy: -155.849 flat angles C4'-P-C4' energy: -201.232 flat angles P-C4'-P energy: -144.606 tors. eta vs tors. theta energy: -305.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -3677.482959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3677.482959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3677.482959 (E_RNA) where: Base-Base interactions energy: -2663.484 where: short stacking energy: -1013.672 Base-Backbone interact. energy: 0.304 local terms energy: -1014.302748 where: bonds (distance) C4'-P energy: -163.282 bonds (distance) P-C4' energy: -177.575 flat angles C4'-P-C4' energy: -215.037 flat angles P-C4'-P energy: -160.736 tors. eta vs tors. theta energy: -297.672 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: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -3604.153109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3604.153109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3604.153109 (E_RNA) where: Base-Base interactions energy: -2660.831 where: short stacking energy: -1021.703 Base-Backbone interact. energy: -0.779 local terms energy: -942.543619 where: bonds (distance) C4'-P energy: -137.448 bonds (distance) P-C4' energy: -158.402 flat angles C4'-P-C4' energy: -198.857 flat angles P-C4'-P energy: -140.886 tors. eta vs tors. theta energy: -306.950 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: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -3484.944075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.944075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.944075 (E_RNA) where: Base-Base interactions energy: -2562.074 where: short stacking energy: -994.175 Base-Backbone interact. energy: 2.906 local terms energy: -925.775477 where: bonds (distance) C4'-P energy: -139.004 bonds (distance) P-C4' energy: -169.933 flat angles C4'-P-C4' energy: -199.882 flat angles P-C4'-P energy: -120.961 tors. eta vs tors. theta energy: -295.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -3352.415835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.415835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.415835 (E_RNA) where: Base-Base interactions energy: -2434.771 where: short stacking energy: -932.569 Base-Backbone interact. energy: -2.463 local terms energy: -915.181509 where: bonds (distance) C4'-P energy: -142.244 bonds (distance) P-C4' energy: -147.919 flat angles C4'-P-C4' energy: -193.899 flat angles P-C4'-P energy: -145.281 tors. eta vs tors. theta energy: -285.839 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: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -3266.740319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.740319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.740319 (E_RNA) where: Base-Base interactions energy: -2430.975 where: short stacking energy: -939.484 Base-Backbone interact. energy: 1.882 local terms energy: -837.647255 where: bonds (distance) C4'-P energy: -140.152 bonds (distance) P-C4' energy: -116.163 flat angles C4'-P-C4' energy: -195.380 flat angles P-C4'-P energy: -118.225 tors. eta vs tors. theta energy: -267.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -2977.091350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.091350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.091350 (E_RNA) where: Base-Base interactions energy: -2137.708 where: short stacking energy: -827.471 Base-Backbone interact. energy: -0.162 local terms energy: -839.221111 where: bonds (distance) C4'-P energy: -153.794 bonds (distance) P-C4' energy: -138.066 flat angles C4'-P-C4' energy: -182.235 flat angles P-C4'-P energy: -118.803 tors. eta vs tors. theta energy: -246.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -2451.721079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.721079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.721079 (E_RNA) where: Base-Base interactions energy: -1779.337 where: short stacking energy: -716.469 Base-Backbone interact. energy: -0.882 local terms energy: -671.501946 where: bonds (distance) C4'-P energy: -137.968 bonds (distance) P-C4' energy: -137.591 flat angles C4'-P-C4' energy: -151.953 flat angles P-C4'-P energy: -65.325 tors. eta vs tors. theta energy: -178.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3890.744726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.744726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.744726 (E_RNA) where: Base-Base interactions energy: -2848.210 where: short stacking energy: -1099.220 Base-Backbone interact. energy: -1.896 local terms energy: -1040.638735 where: bonds (distance) C4'-P energy: -174.434 bonds (distance) P-C4' energy: -170.308 flat angles C4'-P-C4' energy: -216.561 flat angles P-C4'-P energy: -157.663 tors. eta vs tors. theta energy: -321.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -3801.246953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3801.246953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3801.246953 (E_RNA) where: Base-Base interactions energy: -2775.737 where: short stacking energy: -1091.942 Base-Backbone interact. energy: -0.146 local terms energy: -1025.364871 where: bonds (distance) C4'-P energy: -162.138 bonds (distance) P-C4' energy: -187.598 flat angles C4'-P-C4' energy: -218.070 flat angles P-C4'-P energy: -143.410 tors. eta vs tors. theta energy: -314.148 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: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -3775.858738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3775.858738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3775.858738 (E_RNA) where: Base-Base interactions energy: -2768.959 where: short stacking energy: -1037.773 Base-Backbone interact. energy: 6.539 local terms energy: -1013.439252 where: bonds (distance) C4'-P energy: -166.670 bonds (distance) P-C4' energy: -186.861 flat angles C4'-P-C4' energy: -212.164 flat angles P-C4'-P energy: -149.266 tors. eta vs tors. theta energy: -298.477 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: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -3650.429199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3650.429199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3650.429199 (E_RNA) where: Base-Base interactions energy: -2699.555 where: short stacking energy: -1027.113 Base-Backbone interact. energy: 2.532 local terms energy: -953.406462 where: bonds (distance) C4'-P energy: -161.072 bonds (distance) P-C4' energy: -165.736 flat angles C4'-P-C4' energy: -199.992 flat angles P-C4'-P energy: -124.311 tors. eta vs tors. theta energy: -302.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -3586.346009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3586.346009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3586.346009 (E_RNA) where: Base-Base interactions energy: -2601.498 where: short stacking energy: -1030.103 Base-Backbone interact. energy: -0.087 local terms energy: -984.761121 where: bonds (distance) C4'-P energy: -158.611 bonds (distance) P-C4' energy: -162.854 flat angles C4'-P-C4' energy: -214.774 flat angles P-C4'-P energy: -141.930 tors. eta vs tors. theta energy: -306.591 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: 6, replica: 8 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -3459.042031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3459.042031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3459.042031 (E_RNA) where: Base-Base interactions energy: -2556.314 where: short stacking energy: -977.199 Base-Backbone interact. energy: -0.137 local terms energy: -902.590953 where: bonds (distance) C4'-P energy: -138.529 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -206.566 flat angles P-C4'-P energy: -122.427 tors. eta vs tors. theta energy: -290.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -3346.803540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3346.803540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3346.803540 (E_RNA) where: Base-Base interactions energy: -2402.270 where: short stacking energy: -924.932 Base-Backbone interact. energy: -0.741 local terms energy: -943.792462 where: bonds (distance) C4'-P energy: -162.754 bonds (distance) P-C4' energy: -162.562 flat angles C4'-P-C4' energy: -190.525 flat angles P-C4'-P energy: -143.556 tors. eta vs tors. theta energy: -284.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -3298.756485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.756485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.756485 (E_RNA) where: Base-Base interactions energy: -2378.597 where: short stacking energy: -908.430 Base-Backbone interact. energy: -0.095 local terms energy: -920.064016 where: bonds (distance) C4'-P energy: -151.128 bonds (distance) P-C4' energy: -178.328 flat angles C4'-P-C4' energy: -187.234 flat angles P-C4'-P energy: -124.980 tors. eta vs tors. theta energy: -278.394 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: 9, replica: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -2988.430806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.430806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.430806 (E_RNA) where: Base-Base interactions energy: -2150.831 where: short stacking energy: -834.093 Base-Backbone interact. energy: 2.163 local terms energy: -839.762969 where: bonds (distance) C4'-P energy: -141.511 bonds (distance) P-C4' energy: -160.599 flat angles C4'-P-C4' energy: -192.820 flat angles P-C4'-P energy: -101.373 tors. eta vs tors. theta energy: -243.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -2544.014843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.014843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.014843 (E_RNA) where: Base-Base interactions energy: -1829.360 where: short stacking energy: -725.567 Base-Backbone interact. energy: -3.511 local terms energy: -711.143616 where: bonds (distance) C4'-P energy: -119.541 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -152.253 flat angles P-C4'-P energy: -113.138 tors. eta vs tors. theta energy: -195.530 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: 1 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3900.724742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3900.724742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3900.724742 (E_RNA) where: Base-Base interactions energy: -2866.647 where: short stacking energy: -1107.114 Base-Backbone interact. energy: -1.717 local terms energy: -1032.361482 where: bonds (distance) C4'-P energy: -174.017 bonds (distance) P-C4' energy: -180.348 flat angles C4'-P-C4' energy: -211.795 flat angles P-C4'-P energy: -156.498 tors. eta vs tors. theta energy: -309.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -3799.993189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3799.993189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3799.993189 (E_RNA) where: Base-Base interactions energy: -2783.249 where: short stacking energy: -1065.821 Base-Backbone interact. energy: 0.827 local terms energy: -1017.571437 where: bonds (distance) C4'-P energy: -158.378 bonds (distance) P-C4' energy: -182.179 flat angles C4'-P-C4' energy: -222.201 flat angles P-C4'-P energy: -146.369 tors. eta vs tors. theta energy: -308.444 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: 3, replica: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -3758.893739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3758.893739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3758.893739 (E_RNA) where: Base-Base interactions energy: -2746.870 where: short stacking energy: -1043.630 Base-Backbone interact. energy: -3.769 local terms energy: -1008.255090 where: bonds (distance) C4'-P energy: -158.593 bonds (distance) P-C4' energy: -196.035 flat angles C4'-P-C4' energy: -204.566 flat angles P-C4'-P energy: -143.196 tors. eta vs tors. theta energy: -305.866 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: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -3694.619914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3694.619914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3694.619914 (E_RNA) where: Base-Base interactions energy: -2699.897 where: short stacking energy: -1048.445 Base-Backbone interact. energy: 1.167 local terms energy: -995.889580 where: bonds (distance) C4'-P energy: -178.880 bonds (distance) P-C4' energy: -191.281 flat angles C4'-P-C4' energy: -200.511 flat angles P-C4'-P energy: -120.464 tors. eta vs tors. theta energy: -304.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -3622.642293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3622.642293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3622.642293 (E_RNA) where: Base-Base interactions energy: -2662.336 where: short stacking energy: -1035.277 Base-Backbone interact. energy: 4.470 local terms energy: -964.775605 where: bonds (distance) C4'-P energy: -144.085 bonds (distance) P-C4' energy: -175.274 flat angles C4'-P-C4' energy: -208.276 flat angles P-C4'-P energy: -135.851 tors. eta vs tors. theta energy: -301.290 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: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -3474.007746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.007746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.007746 (E_RNA) where: Base-Base interactions energy: -2523.441 where: short stacking energy: -998.840 Base-Backbone interact. energy: -2.023 local terms energy: -948.543684 where: bonds (distance) C4'-P energy: -144.787 bonds (distance) P-C4' energy: -165.013 flat angles C4'-P-C4' energy: -209.517 flat angles P-C4'-P energy: -133.717 tors. eta vs tors. theta energy: -295.510 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: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -3377.811165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3377.811165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3377.811165 (E_RNA) where: Base-Base interactions energy: -2467.045 where: short stacking energy: -964.845 Base-Backbone interact. energy: -3.476 local terms energy: -907.290651 where: bonds (distance) C4'-P energy: -151.798 bonds (distance) P-C4' energy: -142.379 flat angles C4'-P-C4' energy: -212.338 flat angles P-C4'-P energy: -120.450 tors. eta vs tors. theta energy: -280.325 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: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -3261.257829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.257829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.257829 (E_RNA) where: Base-Base interactions energy: -2390.764 where: short stacking energy: -953.905 Base-Backbone interact. energy: -1.952 local terms energy: -868.541931 where: bonds (distance) C4'-P energy: -119.675 bonds (distance) P-C4' energy: -152.654 flat angles C4'-P-C4' energy: -188.858 flat angles P-C4'-P energy: -124.775 tors. eta vs tors. theta energy: -282.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -3032.196777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.196777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.196777 (E_RNA) where: Base-Base interactions energy: -2219.562 where: short stacking energy: -862.273 Base-Backbone interact. energy: 1.599 local terms energy: -814.233399 where: bonds (distance) C4'-P energy: -139.493 bonds (distance) P-C4' energy: -152.954 flat angles C4'-P-C4' energy: -179.176 flat angles P-C4'-P energy: -96.303 tors. eta vs tors. theta energy: -246.308 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: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -2587.319229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.319229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.319229 (E_RNA) where: Base-Base interactions energy: -1853.003 where: short stacking energy: -741.759 Base-Backbone interact. energy: 5.471 local terms energy: -739.786907 where: bonds (distance) C4'-P energy: -132.775 bonds (distance) P-C4' energy: -156.328 flat angles C4'-P-C4' energy: -153.515 flat angles P-C4'-P energy: -108.220 tors. eta vs tors. theta energy: -188.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3918.263090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3918.263090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3918.263090 (E_RNA) where: Base-Base interactions energy: -2863.019 where: short stacking energy: -1119.454 Base-Backbone interact. energy: -2.620 local terms energy: -1052.623848 where: bonds (distance) C4'-P energy: -163.718 bonds (distance) P-C4' energy: -179.075 flat angles C4'-P-C4' energy: -217.176 flat angles P-C4'-P energy: -171.804 tors. eta vs tors. theta energy: -320.850 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: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -3809.783164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3809.783164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3809.783164 (E_RNA) where: Base-Base interactions energy: -2776.378 where: short stacking energy: -1076.084 Base-Backbone interact. energy: 1.527 local terms energy: -1034.931978 where: bonds (distance) C4'-P energy: -174.416 bonds (distance) P-C4' energy: -185.389 flat angles C4'-P-C4' energy: -213.949 flat angles P-C4'-P energy: -149.932 tors. eta vs tors. theta energy: -311.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -3758.872398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3758.872398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3758.872398 (E_RNA) where: Base-Base interactions energy: -2722.328 where: short stacking energy: -1049.605 Base-Backbone interact. energy: -3.088 local terms energy: -1033.456087 where: bonds (distance) C4'-P energy: -179.398 bonds (distance) P-C4' energy: -179.419 flat angles C4'-P-C4' energy: -216.461 flat angles P-C4'-P energy: -149.307 tors. eta vs tors. theta energy: -308.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -3676.727061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3676.727061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3676.727061 (E_RNA) where: Base-Base interactions energy: -2725.743 where: short stacking energy: -1039.462 Base-Backbone interact. energy: 1.617 local terms energy: -952.601522 where: bonds (distance) C4'-P energy: -157.448 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -214.294 flat angles P-C4'-P energy: -125.591 tors. eta vs tors. theta energy: -304.543 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: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -3618.712714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3618.712714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3618.712714 (E_RNA) where: Base-Base interactions energy: -2644.242 where: short stacking energy: -1030.915 Base-Backbone interact. energy: 1.533 local terms energy: -976.003743 where: bonds (distance) C4'-P energy: -172.278 bonds (distance) P-C4' energy: -142.941 flat angles C4'-P-C4' energy: -214.815 flat angles P-C4'-P energy: -144.518 tors. eta vs tors. theta energy: -301.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -3457.785011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.785011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.785011 (E_RNA) where: Base-Base interactions energy: -2527.682 where: short stacking energy: -972.895 Base-Backbone interact. energy: -2.051 local terms energy: -928.052069 where: bonds (distance) C4'-P energy: -165.875 bonds (distance) P-C4' energy: -160.360 flat angles C4'-P-C4' energy: -173.843 flat angles P-C4'-P energy: -134.258 tors. eta vs tors. theta energy: -293.715 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: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -3380.199478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3380.199478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3380.199478 (E_RNA) where: Base-Base interactions energy: -2492.076 where: short stacking energy: -956.323 Base-Backbone interact. energy: -1.512 local terms energy: -886.612351 where: bonds (distance) C4'-P energy: -150.272 bonds (distance) P-C4' energy: -150.805 flat angles C4'-P-C4' energy: -185.531 flat angles P-C4'-P energy: -124.985 tors. eta vs tors. theta energy: -275.020 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: 2 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -3261.418829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.418829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.418829 (E_RNA) where: Base-Base interactions energy: -2367.246 where: short stacking energy: -918.776 Base-Backbone interact. energy: 4.148 local terms energy: -898.320712 where: bonds (distance) C4'-P energy: -152.643 bonds (distance) P-C4' energy: -156.692 flat angles C4'-P-C4' energy: -197.702 flat angles P-C4'-P energy: -112.822 tors. eta vs tors. theta energy: -278.462 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: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -2986.826340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.826340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.826340 (E_RNA) where: Base-Base interactions energy: -2135.638 where: short stacking energy: -845.471 Base-Backbone interact. energy: -3.781 local terms energy: -847.407221 where: bonds (distance) C4'-P energy: -143.471 bonds (distance) P-C4' energy: -156.820 flat angles C4'-P-C4' energy: -182.335 flat angles P-C4'-P energy: -111.413 tors. eta vs tors. theta energy: -253.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -2547.307122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.307122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.307122 (E_RNA) where: Base-Base interactions energy: -1825.101 where: short stacking energy: -720.315 Base-Backbone interact. energy: 0.193 local terms energy: -722.398979 where: bonds (distance) C4'-P energy: -127.112 bonds (distance) P-C4' energy: -150.507 flat angles C4'-P-C4' energy: -152.551 flat angles P-C4'-P energy: -109.012 tors. eta vs tors. theta energy: -183.217 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: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3898.503923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.503923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3898.503923 (E_RNA) where: Base-Base interactions energy: -2838.420 where: short stacking energy: -1096.912 Base-Backbone interact. energy: 0.603 local terms energy: -1060.687455 where: bonds (distance) C4'-P energy: -189.056 bonds (distance) P-C4' energy: -198.264 flat angles C4'-P-C4' energy: -216.270 flat angles P-C4'-P energy: -149.326 tors. eta vs tors. theta energy: -307.771 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: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -3795.036832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3795.036832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3795.036832 (E_RNA) where: Base-Base interactions energy: -2727.054 where: short stacking energy: -1056.741 Base-Backbone interact. energy: -4.326 local terms energy: -1063.657618 where: bonds (distance) C4'-P energy: -181.644 bonds (distance) P-C4' energy: -193.028 flat angles C4'-P-C4' energy: -221.539 flat angles P-C4'-P energy: -156.249 tors. eta vs tors. theta energy: -311.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -3748.861361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3748.861361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3748.861361 (E_RNA) where: Base-Base interactions energy: -2717.221 where: short stacking energy: -1047.634 Base-Backbone interact. energy: 4.557 local terms energy: -1036.197078 where: bonds (distance) C4'-P energy: -189.566 bonds (distance) P-C4' energy: -159.673 flat angles C4'-P-C4' energy: -222.116 flat angles P-C4'-P energy: -153.727 tors. eta vs tors. theta energy: -311.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -3657.076988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3657.076988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3657.076988 (E_RNA) where: Base-Base interactions energy: -2681.926 where: short stacking energy: -1020.368 Base-Backbone interact. energy: -1.342 local terms energy: -973.809342 where: bonds (distance) C4'-P energy: -141.263 bonds (distance) P-C4' energy: -174.466 flat angles C4'-P-C4' energy: -208.072 flat angles P-C4'-P energy: -153.498 tors. eta vs tors. theta energy: -296.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -3608.508135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3608.508135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3608.508135 (E_RNA) where: Base-Base interactions energy: -2667.892 where: short stacking energy: -1055.799 Base-Backbone interact. energy: 4.409 local terms energy: -945.025848 where: bonds (distance) C4'-P energy: -142.064 bonds (distance) P-C4' energy: -156.013 flat angles C4'-P-C4' energy: -208.524 flat angles P-C4'-P energy: -140.996 tors. eta vs tors. theta energy: -297.429 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: 8 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -3486.735204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3486.735204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3486.735204 (E_RNA) where: Base-Base interactions energy: -2552.013 where: short stacking energy: -987.884 Base-Backbone interact. energy: -2.437 local terms energy: -932.285438 where: bonds (distance) C4'-P energy: -156.029 bonds (distance) P-C4' energy: -150.198 flat angles C4'-P-C4' energy: -204.660 flat angles P-C4'-P energy: -127.119 tors. eta vs tors. theta energy: -294.279 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: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -3432.357481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3432.357481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3432.357481 (E_RNA) where: Base-Base interactions energy: -2512.206 where: short stacking energy: -980.000 Base-Backbone interact. energy: 2.919 local terms energy: -923.070459 where: bonds (distance) C4'-P energy: -137.839 bonds (distance) P-C4' energy: -162.420 flat angles C4'-P-C4' energy: -199.215 flat angles P-C4'-P energy: -134.525 tors. eta vs tors. theta energy: -289.071 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: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -3238.066469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.066469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.066469 (E_RNA) where: Base-Base interactions energy: -2368.205 where: short stacking energy: -932.354 Base-Backbone interact. energy: 1.688 local terms energy: -871.549701 where: bonds (distance) C4'-P energy: -116.942 bonds (distance) P-C4' energy: -162.410 flat angles C4'-P-C4' energy: -198.286 flat angles P-C4'-P energy: -121.769 tors. eta vs tors. theta energy: -272.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -2922.796318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.796318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.796318 (E_RNA) where: Base-Base interactions energy: -2131.906 where: short stacking energy: -833.555 Base-Backbone interact. energy: 1.957 local terms energy: -792.847629 where: bonds (distance) C4'-P energy: -139.961 bonds (distance) P-C4' energy: -142.033 flat angles C4'-P-C4' energy: -166.755 flat angles P-C4'-P energy: -106.503 tors. eta vs tors. theta energy: -237.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -2595.984253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.984253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.984253 (E_RNA) where: Base-Base interactions energy: -1809.145 where: short stacking energy: -724.936 Base-Backbone interact. energy: -1.213 local terms energy: -785.626233 where: bonds (distance) C4'-P energy: -138.287 bonds (distance) P-C4' energy: -148.809 flat angles C4'-P-C4' energy: -165.454 flat angles P-C4'-P energy: -130.398 tors. eta vs tors. theta energy: -202.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3916.242856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3916.242856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3916.242856 (E_RNA) where: Base-Base interactions energy: -2843.503 where: short stacking energy: -1089.791 Base-Backbone interact. energy: -3.217 local terms energy: -1069.522942 where: bonds (distance) C4'-P energy: -199.494 bonds (distance) P-C4' energy: -197.449 flat angles C4'-P-C4' energy: -219.727 flat angles P-C4'-P energy: -146.588 tors. eta vs tors. theta energy: -306.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -3797.152607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3797.152607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3797.152607 (E_RNA) where: Base-Base interactions energy: -2779.337 where: short stacking energy: -1078.650 Base-Backbone interact. energy: 6.659 local terms energy: -1024.474388 where: bonds (distance) C4'-P energy: -179.311 bonds (distance) P-C4' energy: -172.537 flat angles C4'-P-C4' energy: -212.144 flat angles P-C4'-P energy: -152.326 tors. eta vs tors. theta energy: -308.157 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: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -3741.605950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3741.605950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3741.605950 (E_RNA) where: Base-Base interactions energy: -2746.302 where: short stacking energy: -1054.223 Base-Backbone interact. energy: -1.106 local terms energy: -994.198486 where: bonds (distance) C4'-P energy: -169.992 bonds (distance) P-C4' energy: -171.823 flat angles C4'-P-C4' energy: -220.503 flat angles P-C4'-P energy: -134.592 tors. eta vs tors. theta energy: -297.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -3671.348609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3671.348609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3671.348609 (E_RNA) where: Base-Base interactions energy: -2690.129 where: short stacking energy: -1033.307 Base-Backbone interact. energy: 0.407 local terms energy: -981.626376 where: bonds (distance) C4'-P energy: -181.927 bonds (distance) P-C4' energy: -157.007 flat angles C4'-P-C4' energy: -198.799 flat angles P-C4'-P energy: -144.293 tors. eta vs tors. theta energy: -299.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -3568.786428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3568.786428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3568.786428 (E_RNA) where: Base-Base interactions energy: -2591.685 where: short stacking energy: -1002.850 Base-Backbone interact. energy: 0.336 local terms energy: -977.437509 where: bonds (distance) C4'-P energy: -172.719 bonds (distance) P-C4' energy: -178.262 flat angles C4'-P-C4' energy: -202.421 flat angles P-C4'-P energy: -131.004 tors. eta vs tors. theta energy: -293.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -3477.039458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.039458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.039458 (E_RNA) where: Base-Base interactions energy: -2534.438 where: short stacking energy: -969.267 Base-Backbone interact. energy: -0.715 local terms energy: -941.886469 where: bonds (distance) C4'-P energy: -159.454 bonds (distance) P-C4' energy: -152.842 flat angles C4'-P-C4' energy: -198.125 flat angles P-C4'-P energy: -138.759 tors. eta vs tors. theta energy: -292.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -3394.909106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3394.909106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3394.909106 (E_RNA) where: Base-Base interactions energy: -2476.066 where: short stacking energy: -963.739 Base-Backbone interact. energy: -2.202 local terms energy: -916.640966 where: bonds (distance) C4'-P energy: -155.007 bonds (distance) P-C4' energy: -158.130 flat angles C4'-P-C4' energy: -194.644 flat angles P-C4'-P energy: -126.475 tors. eta vs tors. theta energy: -282.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -3226.861270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.861270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.861270 (E_RNA) where: Base-Base interactions energy: -2342.831 where: short stacking energy: -903.404 Base-Backbone interact. energy: -0.553 local terms energy: -883.477880 where: bonds (distance) C4'-P energy: -143.934 bonds (distance) P-C4' energy: -159.474 flat angles C4'-P-C4' energy: -183.604 flat angles P-C4'-P energy: -125.716 tors. eta vs tors. theta energy: -270.751 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: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -3003.130347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.130347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.130347 (E_RNA) where: Base-Base interactions energy: -2142.101 where: short stacking energy: -859.094 Base-Backbone interact. energy: -0.574 local terms energy: -860.455084 where: bonds (distance) C4'-P energy: -136.604 bonds (distance) P-C4' energy: -162.621 flat angles C4'-P-C4' energy: -188.383 flat angles P-C4'-P energy: -116.698 tors. eta vs tors. theta energy: -256.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -2574.479536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.479536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.479536 (E_RNA) where: Base-Base interactions energy: -1833.617 where: short stacking energy: -722.934 Base-Backbone interact. energy: -3.609 local terms energy: -737.253279 where: bonds (distance) C4'-P energy: -142.103 bonds (distance) P-C4' energy: -129.125 flat angles C4'-P-C4' energy: -174.708 flat angles P-C4'-P energy: -114.401 tors. eta vs tors. theta energy: -176.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3890.885452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.885452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.885452 (E_RNA) where: Base-Base interactions energy: -2868.477 where: short stacking energy: -1114.966 Base-Backbone interact. energy: 3.644 local terms energy: -1026.052739 where: bonds (distance) C4'-P energy: -166.019 bonds (distance) P-C4' energy: -171.000 flat angles C4'-P-C4' energy: -216.201 flat angles P-C4'-P energy: -153.567 tors. eta vs tors. theta energy: -319.264 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: 5 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -3800.368842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3800.368842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3800.368842 (E_RNA) where: Base-Base interactions energy: -2769.249 where: short stacking energy: -1061.034 Base-Backbone interact. energy: 0.253 local terms energy: -1031.373034 where: bonds (distance) C4'-P energy: -175.734 bonds (distance) P-C4' energy: -175.467 flat angles C4'-P-C4' energy: -214.955 flat angles P-C4'-P energy: -142.657 tors. eta vs tors. theta energy: -322.560 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: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -3774.947484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3774.947484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3774.947484 (E_RNA) where: Base-Base interactions energy: -2767.343 where: short stacking energy: -1073.318 Base-Backbone interact. energy: -0.016 local terms energy: -1007.588209 where: bonds (distance) C4'-P energy: -163.432 bonds (distance) P-C4' energy: -177.776 flat angles C4'-P-C4' energy: -211.572 flat angles P-C4'-P energy: -137.148 tors. eta vs tors. theta energy: -317.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -3691.554016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3691.554016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3691.554016 (E_RNA) where: Base-Base interactions energy: -2692.254 where: short stacking energy: -1028.378 Base-Backbone interact. energy: 1.469 local terms energy: -1000.768524 where: bonds (distance) C4'-P energy: -162.450 bonds (distance) P-C4' energy: -178.487 flat angles C4'-P-C4' energy: -218.884 flat angles P-C4'-P energy: -142.378 tors. eta vs tors. theta energy: -298.570 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -3596.278196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3596.278196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3596.278196 (E_RNA) where: Base-Base interactions energy: -2633.962 where: short stacking energy: -1006.394 Base-Backbone interact. energy: -3.749 local terms energy: -958.567341 where: bonds (distance) C4'-P energy: -161.230 bonds (distance) P-C4' energy: -156.610 flat angles C4'-P-C4' energy: -196.276 flat angles P-C4'-P energy: -148.057 tors. eta vs tors. theta energy: -296.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -3445.720672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3445.720672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3445.720672 (E_RNA) where: Base-Base interactions energy: -2488.912 where: short stacking energy: -962.206 Base-Backbone interact. energy: -1.608 local terms energy: -955.200628 where: bonds (distance) C4'-P energy: -176.657 bonds (distance) P-C4' energy: -159.383 flat angles C4'-P-C4' energy: -204.816 flat angles P-C4'-P energy: -127.697 tors. eta vs tors. theta energy: -286.646 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: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -3332.351736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.351736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.351736 (E_RNA) where: Base-Base interactions energy: -2442.409 where: short stacking energy: -917.198 Base-Backbone interact. energy: -0.941 local terms energy: -889.001978 where: bonds (distance) C4'-P energy: -149.547 bonds (distance) P-C4' energy: -145.202 flat angles C4'-P-C4' energy: -194.621 flat angles P-C4'-P energy: -126.630 tors. eta vs tors. theta energy: -273.001 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: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -3248.105766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.105766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.105766 (E_RNA) where: Base-Base interactions energy: -2324.297 where: short stacking energy: -904.350 Base-Backbone interact. energy: 0.702 local terms energy: -924.509984 where: bonds (distance) C4'-P energy: -158.356 bonds (distance) P-C4' energy: -165.329 flat angles C4'-P-C4' energy: -202.157 flat angles P-C4'-P energy: -118.009 tors. eta vs tors. theta energy: -280.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -2941.131636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.131636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.131636 (E_RNA) where: Base-Base interactions energy: -2156.630 where: short stacking energy: -834.998 Base-Backbone interact. energy: -0.797 local terms energy: -783.704877 where: bonds (distance) C4'-P energy: -120.789 bonds (distance) P-C4' energy: -127.613 flat angles C4'-P-C4' energy: -175.089 flat angles P-C4'-P energy: -108.853 tors. eta vs tors. theta energy: -251.361 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: 7 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -2705.828078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.828078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.828078 (E_RNA) where: Base-Base interactions energy: -1968.496 where: short stacking energy: -783.720 Base-Backbone interact. energy: 1.297 local terms energy: -738.628839 where: bonds (distance) C4'-P energy: -138.499 bonds (distance) P-C4' energy: -128.571 flat angles C4'-P-C4' energy: -166.626 flat angles P-C4'-P energy: -96.433 tors. eta vs tors. theta energy: -208.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3914.474397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3914.474397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3914.474397 (E_RNA) where: Base-Base interactions energy: -2867.938 where: short stacking energy: -1090.358 Base-Backbone interact. energy: -1.050 local terms energy: -1045.486941 where: bonds (distance) C4'-P energy: -179.860 bonds (distance) P-C4' energy: -181.319 flat angles C4'-P-C4' energy: -219.756 flat angles P-C4'-P energy: -143.633 tors. eta vs tors. theta energy: -320.918 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: 5 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -3818.068214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3818.068214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3818.068214 (E_RNA) where: Base-Base interactions energy: -2784.239 where: short stacking energy: -1080.804 Base-Backbone interact. energy: -2.351 local terms energy: -1031.478723 where: bonds (distance) C4'-P energy: -180.161 bonds (distance) P-C4' energy: -170.431 flat angles C4'-P-C4' energy: -215.850 flat angles P-C4'-P energy: -148.851 tors. eta vs tors. theta energy: -316.187 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: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -3770.307931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3770.307931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3770.307931 (E_RNA) where: Base-Base interactions energy: -2765.375 where: short stacking energy: -1053.883 Base-Backbone interact. energy: -0.998 local terms energy: -1003.934767 where: bonds (distance) C4'-P energy: -182.900 bonds (distance) P-C4' energy: -157.771 flat angles C4'-P-C4' energy: -218.325 flat angles P-C4'-P energy: -140.439 tors. eta vs tors. theta energy: -304.500 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: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -3679.062220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3679.062220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3679.062220 (E_RNA) where: Base-Base interactions energy: -2720.891 where: short stacking energy: -1065.847 Base-Backbone interact. energy: 0.709 local terms energy: -958.879325 where: bonds (distance) C4'-P energy: -160.756 bonds (distance) P-C4' energy: -155.548 flat angles C4'-P-C4' energy: -212.601 flat angles P-C4'-P energy: -124.536 tors. eta vs tors. theta energy: -305.439 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: 489 Temperature: 1.100000 Total energy: -3549.187084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3549.187084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3549.187084 (E_RNA) where: Base-Base interactions energy: -2567.755 where: short stacking energy: -993.622 Base-Backbone interact. energy: -0.210 local terms energy: -981.222380 where: bonds (distance) C4'-P energy: -177.732 bonds (distance) P-C4' energy: -168.623 flat angles C4'-P-C4' energy: -200.663 flat angles P-C4'-P energy: -132.835 tors. eta vs tors. theta energy: -301.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -3421.841613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3421.841613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3421.841613 (E_RNA) where: Base-Base interactions energy: -2477.248 where: short stacking energy: -976.599 Base-Backbone interact. energy: -2.045 local terms energy: -942.548314 where: bonds (distance) C4'-P energy: -162.730 bonds (distance) P-C4' energy: -171.055 flat angles C4'-P-C4' energy: -184.557 flat angles P-C4'-P energy: -133.368 tors. eta vs tors. theta energy: -290.840 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: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -3373.345952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3373.345952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3373.345952 (E_RNA) where: Base-Base interactions energy: -2464.761 where: short stacking energy: -957.506 Base-Backbone interact. energy: -4.226 local terms energy: -904.358864 where: bonds (distance) C4'-P energy: -135.660 bonds (distance) P-C4' energy: -152.974 flat angles C4'-P-C4' energy: -209.189 flat angles P-C4'-P energy: -117.231 tors. eta vs tors. theta energy: -289.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -3213.789754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.789754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.789754 (E_RNA) where: Base-Base interactions energy: -2327.141 where: short stacking energy: -919.023 Base-Backbone interact. energy: 1.607 local terms energy: -888.255820 where: bonds (distance) C4'-P energy: -137.005 bonds (distance) P-C4' energy: -160.825 flat angles C4'-P-C4' energy: -187.144 flat angles P-C4'-P energy: -135.204 tors. eta vs tors. theta energy: -268.078 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: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -3018.028345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.028345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.028345 (E_RNA) where: Base-Base interactions energy: -2186.110 where: short stacking energy: -840.189 Base-Backbone interact. energy: 2.234 local terms energy: -834.152291 where: bonds (distance) C4'-P energy: -135.901 bonds (distance) P-C4' energy: -167.105 flat angles C4'-P-C4' energy: -177.930 flat angles P-C4'-P energy: -109.993 tors. eta vs tors. theta energy: -243.224 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: 7 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -2702.124620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.124620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.124620 (E_RNA) where: Base-Base interactions energy: -1926.791 where: short stacking energy: -760.825 Base-Backbone interact. energy: -0.842 local terms energy: -774.491859 where: bonds (distance) C4'-P energy: -130.733 bonds (distance) P-C4' energy: -127.379 flat angles C4'-P-C4' energy: -189.511 flat angles P-C4'-P energy: -118.163 tors. eta vs tors. theta energy: -208.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3890.787966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.787966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.787966 (E_RNA) where: Base-Base interactions energy: -2834.407 where: short stacking energy: -1087.382 Base-Backbone interact. energy: -2.193 local terms energy: -1054.188637 where: bonds (distance) C4'-P energy: -177.804 bonds (distance) P-C4' energy: -174.474 flat angles C4'-P-C4' energy: -219.256 flat angles P-C4'-P energy: -167.819 tors. eta vs tors. theta energy: -314.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -3798.461578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3798.461578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3798.461578 (E_RNA) where: Base-Base interactions energy: -2747.945 where: short stacking energy: -1050.212 Base-Backbone interact. energy: -0.954 local terms energy: -1049.563400 where: bonds (distance) C4'-P energy: -188.502 bonds (distance) P-C4' energy: -187.797 flat angles C4'-P-C4' energy: -213.264 flat angles P-C4'-P energy: -150.310 tors. eta vs tors. theta energy: -309.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -3742.790044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3742.790044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3742.790044 (E_RNA) where: Base-Base interactions energy: -2737.643 where: short stacking energy: -1041.811 Base-Backbone interact. energy: -2.787 local terms energy: -1002.360139 where: bonds (distance) C4'-P energy: -165.516 bonds (distance) P-C4' energy: -179.663 flat angles C4'-P-C4' energy: -211.709 flat angles P-C4'-P energy: -148.180 tors. eta vs tors. theta energy: -297.292 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: 490 Temperature: 1.050000 Total energy: -3666.321946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3666.321946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3666.321946 (E_RNA) where: Base-Base interactions energy: -2675.115 where: short stacking energy: -1061.278 Base-Backbone interact. energy: -1.070 local terms energy: -990.137425 where: bonds (distance) C4'-P energy: -161.085 bonds (distance) P-C4' energy: -160.196 flat angles C4'-P-C4' energy: -219.829 flat angles P-C4'-P energy: -133.867 tors. eta vs tors. theta energy: -315.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -3538.750167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3538.750167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3538.750167 (E_RNA) where: Base-Base interactions energy: -2608.786 where: short stacking energy: -1011.695 Base-Backbone interact. energy: -3.487 local terms energy: -926.477152 where: bonds (distance) C4'-P energy: -165.782 bonds (distance) P-C4' energy: -157.738 flat angles C4'-P-C4' energy: -190.315 flat angles P-C4'-P energy: -131.551 tors. eta vs tors. theta energy: -281.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -3471.352866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3471.352866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3471.352866 (E_RNA) where: Base-Base interactions energy: -2512.895 where: short stacking energy: -973.678 Base-Backbone interact. energy: -1.969 local terms energy: -956.488903 where: bonds (distance) C4'-P energy: -167.412 bonds (distance) P-C4' energy: -170.663 flat angles C4'-P-C4' energy: -197.774 flat angles P-C4'-P energy: -128.869 tors. eta vs tors. theta energy: -291.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -3369.315564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.315564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.315564 (E_RNA) where: Base-Base interactions energy: -2465.256 where: short stacking energy: -957.904 Base-Backbone interact. energy: -2.465 local terms energy: -901.594956 where: bonds (distance) C4'-P energy: -144.580 bonds (distance) P-C4' energy: -143.093 flat angles C4'-P-C4' energy: -195.220 flat angles P-C4'-P energy: -132.921 tors. eta vs tors. theta energy: -285.782 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: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -3261.184045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.184045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.184045 (E_RNA) where: Base-Base interactions energy: -2378.783 where: short stacking energy: -918.738 Base-Backbone interact. energy: 0.837 local terms energy: -883.238201 where: bonds (distance) C4'-P energy: -157.320 bonds (distance) P-C4' energy: -148.814 flat angles C4'-P-C4' energy: -181.963 flat angles P-C4'-P energy: -124.060 tors. eta vs tors. theta energy: -271.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -3014.303368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.303368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.303368 (E_RNA) where: Base-Base interactions energy: -2197.683 where: short stacking energy: -859.063 Base-Backbone interact. energy: -4.254 local terms energy: -812.367072 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -136.949 flat angles C4'-P-C4' energy: -163.902 flat angles P-C4'-P energy: -111.105 tors. eta vs tors. theta energy: -259.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -2727.647264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.647264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.647264 (E_RNA) where: Base-Base interactions energy: -1957.389 where: short stacking energy: -761.839 Base-Backbone interact. energy: -1.523 local terms energy: -768.735190 where: bonds (distance) C4'-P energy: -151.499 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -175.098 flat angles P-C4'-P energy: -96.454 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: 1, replica: 1 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3879.361995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3879.361995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3879.361995 (E_RNA) where: Base-Base interactions energy: -2806.579 where: short stacking energy: -1080.740 Base-Backbone interact. energy: -5.093 local terms energy: -1067.689760 where: bonds (distance) C4'-P energy: -181.433 bonds (distance) P-C4' energy: -187.640 flat angles C4'-P-C4' energy: -229.415 flat angles P-C4'-P energy: -152.497 tors. eta vs tors. theta energy: -316.705 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: 5 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -3818.135510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3818.135510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3818.135510 (E_RNA) where: Base-Base interactions energy: -2780.523 where: short stacking energy: -1084.304 Base-Backbone interact. energy: 4.676 local terms energy: -1042.288315 where: bonds (distance) C4'-P energy: -184.590 bonds (distance) P-C4' energy: -184.644 flat angles C4'-P-C4' energy: -218.163 flat angles P-C4'-P energy: -143.994 tors. eta vs tors. theta energy: -310.897 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: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -3760.486228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3760.486228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3760.486228 (E_RNA) where: Base-Base interactions energy: -2749.877 where: short stacking energy: -1055.695 Base-Backbone interact. energy: 1.096 local terms energy: -1011.705049 where: bonds (distance) C4'-P energy: -180.447 bonds (distance) P-C4' energy: -173.629 flat angles C4'-P-C4' energy: -203.635 flat angles P-C4'-P energy: -148.533 tors. eta vs tors. theta energy: -305.462 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: 4 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -3728.028054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3728.028054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3728.028054 (E_RNA) where: Base-Base interactions energy: -2698.487 where: short stacking energy: -1044.543 Base-Backbone interact. energy: 0.232 local terms energy: -1029.773047 where: bonds (distance) C4'-P energy: -177.000 bonds (distance) P-C4' energy: -157.023 flat angles C4'-P-C4' energy: -222.968 flat angles P-C4'-P energy: -155.567 tors. eta vs tors. theta energy: -317.216 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: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -3566.262026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3566.262026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3566.262026 (E_RNA) where: Base-Base interactions energy: -2611.059 where: short stacking energy: -1002.684 Base-Backbone interact. energy: -4.337 local terms energy: -950.866009 where: bonds (distance) C4'-P energy: -166.594 bonds (distance) P-C4' energy: -155.440 flat angles C4'-P-C4' energy: -197.170 flat angles P-C4'-P energy: -150.874 tors. eta vs tors. theta energy: -280.788 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: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -3477.182499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.182499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.182499 (E_RNA) where: Base-Base interactions energy: -2559.244 where: short stacking energy: -972.968 Base-Backbone interact. energy: 0.150 local terms energy: -918.088321 where: bonds (distance) C4'-P energy: -176.417 bonds (distance) P-C4' energy: -148.858 flat angles C4'-P-C4' energy: -193.689 flat angles P-C4'-P energy: -118.475 tors. eta vs tors. theta energy: -280.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -3361.769502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3361.769502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3361.769502 (E_RNA) where: Base-Base interactions energy: -2477.011 where: short stacking energy: -964.583 Base-Backbone interact. energy: -1.351 local terms energy: -883.408278 where: bonds (distance) C4'-P energy: -158.952 bonds (distance) P-C4' energy: -156.386 flat angles C4'-P-C4' energy: -192.992 flat angles P-C4'-P energy: -99.996 tors. eta vs tors. theta energy: -275.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -3224.733129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.733129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.733129 (E_RNA) where: Base-Base interactions energy: -2363.020 where: short stacking energy: -918.947 Base-Backbone interact. energy: -0.777 local terms energy: -860.936702 where: bonds (distance) C4'-P energy: -149.049 bonds (distance) P-C4' energy: -141.148 flat angles C4'-P-C4' energy: -172.101 flat angles P-C4'-P energy: -132.180 tors. eta vs tors. theta energy: -266.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -3033.706512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.706512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.706512 (E_RNA) where: Base-Base interactions energy: -2203.405 where: short stacking energy: -857.109 Base-Backbone interact. energy: 1.693 local terms energy: -831.994558 where: bonds (distance) C4'-P energy: -146.736 bonds (distance) P-C4' energy: -142.129 flat angles C4'-P-C4' energy: -178.414 flat angles P-C4'-P energy: -112.053 tors. eta vs tors. theta energy: -252.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -2731.446661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.446661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.446661 (E_RNA) where: Base-Base interactions energy: -1966.291 where: short stacking energy: -769.161 Base-Backbone interact. energy: -2.521 local terms energy: -762.634000 where: bonds (distance) C4'-P energy: -132.437 bonds (distance) P-C4' energy: -131.427 flat angles C4'-P-C4' energy: -186.339 flat angles P-C4'-P energy: -104.663 tors. eta vs tors. theta energy: -207.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3890.710865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3890.710865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3890.710865 (E_RNA) where: Base-Base interactions energy: -2816.320 where: short stacking energy: -1091.078 Base-Backbone interact. energy: -2.407 local terms energy: -1071.983573 where: bonds (distance) C4'-P energy: -188.660 bonds (distance) P-C4' energy: -193.191 flat angles C4'-P-C4' energy: -224.936 flat angles P-C4'-P energy: -149.936 tors. eta vs tors. theta energy: -315.260 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: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -3825.188830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.188830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.188830 (E_RNA) where: Base-Base interactions energy: -2797.710 where: short stacking energy: -1103.261 Base-Backbone interact. energy: -2.037 local terms energy: -1025.441864 where: bonds (distance) C4'-P energy: -166.908 bonds (distance) P-C4' energy: -167.187 flat angles C4'-P-C4' energy: -224.821 flat angles P-C4'-P energy: -143.609 tors. eta vs tors. theta energy: -322.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -3758.389318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3758.389318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3758.389318 (E_RNA) where: Base-Base interactions energy: -2734.756 where: short stacking energy: -1048.567 Base-Backbone interact. energy: -1.736 local terms energy: -1021.896968 where: bonds (distance) C4'-P energy: -177.072 bonds (distance) P-C4' energy: -188.747 flat angles C4'-P-C4' energy: -203.641 flat angles P-C4'-P energy: -138.277 tors. eta vs tors. theta energy: -314.160 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: 4 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -3675.220318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3675.220318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3675.220318 (E_RNA) where: Base-Base interactions energy: -2670.757 where: short stacking energy: -1023.185 Base-Backbone interact. energy: 5.839 local terms energy: -1010.301862 where: bonds (distance) C4'-P energy: -184.916 bonds (distance) P-C4' energy: -157.801 flat angles C4'-P-C4' energy: -202.443 flat angles P-C4'-P energy: -156.466 tors. eta vs tors. theta energy: -308.676 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: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -3515.921931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.921931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.921931 (E_RNA) where: Base-Base interactions energy: -2547.056 where: short stacking energy: -998.478 Base-Backbone interact. energy: -3.379 local terms energy: -965.485961 where: bonds (distance) C4'-P energy: -148.853 bonds (distance) P-C4' energy: -180.662 flat angles C4'-P-C4' energy: -213.335 flat angles P-C4'-P energy: -136.358 tors. eta vs tors. theta energy: -286.279 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: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -3529.207887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3529.207887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3529.207887 (E_RNA) where: Base-Base interactions energy: -2586.147 where: short stacking energy: -989.992 Base-Backbone interact. energy: -0.396 local terms energy: -942.665503 where: bonds (distance) C4'-P energy: -157.964 bonds (distance) P-C4' energy: -163.950 flat angles C4'-P-C4' energy: -204.788 flat angles P-C4'-P energy: -131.760 tors. eta vs tors. theta energy: -284.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -3370.321040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3370.321040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3370.321040 (E_RNA) where: Base-Base interactions energy: -2456.152 where: short stacking energy: -945.529 Base-Backbone interact. energy: -1.716 local terms energy: -912.453060 where: bonds (distance) C4'-P energy: -140.575 bonds (distance) P-C4' energy: -169.929 flat angles C4'-P-C4' energy: -190.733 flat angles P-C4'-P energy: -128.119 tors. eta vs tors. theta energy: -283.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -3260.976266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.976266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.976266 (E_RNA) where: Base-Base interactions energy: -2370.373 where: short stacking energy: -919.618 Base-Backbone interact. energy: 2.061 local terms energy: -892.663808 where: bonds (distance) C4'-P energy: -160.167 bonds (distance) P-C4' energy: -150.241 flat angles C4'-P-C4' energy: -184.987 flat angles P-C4'-P energy: -115.876 tors. eta vs tors. theta energy: -281.394 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: 9, replica: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -3004.357516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.357516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.357516 (E_RNA) where: Base-Base interactions energy: -2180.418 where: short stacking energy: -831.466 Base-Backbone interact. energy: 5.837 local terms energy: -829.775728 where: bonds (distance) C4'-P energy: -155.205 bonds (distance) P-C4' energy: -154.921 flat angles C4'-P-C4' energy: -180.177 flat angles P-C4'-P energy: -97.078 tors. eta vs tors. theta energy: -242.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -2684.085267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.085267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.085267 (E_RNA) where: Base-Base interactions energy: -1913.537 where: short stacking energy: -733.339 Base-Backbone interact. energy: 0.383 local terms energy: -770.931425 where: bonds (distance) C4'-P energy: -145.769 bonds (distance) P-C4' energy: -144.911 flat angles C4'-P-C4' energy: -167.073 flat angles P-C4'-P energy: -113.378 tors. eta vs tors. theta energy: -199.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3913.156429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3913.156429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3913.156429 (E_RNA) where: Base-Base interactions energy: -2840.825 where: short stacking energy: -1098.667 Base-Backbone interact. energy: -1.396 local terms energy: -1070.934901 where: bonds (distance) C4'-P energy: -203.494 bonds (distance) P-C4' energy: -186.193 flat angles C4'-P-C4' energy: -221.741 flat angles P-C4'-P energy: -148.903 tors. eta vs tors. theta energy: -310.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -3825.029579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.029579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.029579 (E_RNA) where: Base-Base interactions energy: -2777.590 where: short stacking energy: -1069.682 Base-Backbone interact. energy: 1.526 local terms energy: -1048.966241 where: bonds (distance) C4'-P energy: -176.905 bonds (distance) P-C4' energy: -191.670 flat angles C4'-P-C4' energy: -211.424 flat angles P-C4'-P energy: -145.373 tors. eta vs tors. theta energy: -323.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -3770.830605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3770.830605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3770.830605 (E_RNA) where: Base-Base interactions energy: -2746.374 where: short stacking energy: -1059.976 Base-Backbone interact. energy: -1.796 local terms energy: -1022.660649 where: bonds (distance) C4'-P energy: -174.265 bonds (distance) P-C4' energy: -174.400 flat angles C4'-P-C4' energy: -216.171 flat angles P-C4'-P energy: -147.974 tors. eta vs tors. theta energy: -309.851 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: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -3657.393869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3657.393869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3657.393869 (E_RNA) where: Base-Base interactions energy: -2650.367 where: short stacking energy: -1039.975 Base-Backbone interact. energy: -1.360 local terms energy: -1005.667138 where: bonds (distance) C4'-P energy: -155.297 bonds (distance) P-C4' energy: -183.600 flat angles C4'-P-C4' energy: -209.561 flat angles P-C4'-P energy: -142.867 tors. eta vs tors. theta energy: -314.342 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: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -3492.299449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3492.299449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3492.299449 (E_RNA) where: Base-Base interactions energy: -2565.074 where: short stacking energy: -1002.687 Base-Backbone interact. energy: -1.715 local terms energy: -925.510135 where: bonds (distance) C4'-P energy: -150.009 bonds (distance) P-C4' energy: -152.797 flat angles C4'-P-C4' energy: -200.719 flat angles P-C4'-P energy: -132.812 tors. eta vs tors. theta energy: -289.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -3536.581783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3536.581783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3536.581783 (E_RNA) where: Base-Base interactions energy: -2590.993 where: short stacking energy: -991.113 Base-Backbone interact. energy: 0.489 local terms energy: -946.077517 where: bonds (distance) C4'-P energy: -147.483 bonds (distance) P-C4' energy: -171.099 flat angles C4'-P-C4' energy: -209.138 flat angles P-C4'-P energy: -141.665 tors. eta vs tors. theta energy: -276.692 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: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -3353.117669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3353.117669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3353.117669 (E_RNA) where: Base-Base interactions energy: -2421.497 where: short stacking energy: -947.391 Base-Backbone interact. energy: 0.690 local terms energy: -932.310713 where: bonds (distance) C4'-P energy: -162.561 bonds (distance) P-C4' energy: -151.213 flat angles C4'-P-C4' energy: -213.820 flat angles P-C4'-P energy: -130.020 tors. eta vs tors. theta energy: -274.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -3292.692965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.692965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.692965 (E_RNA) where: Base-Base interactions energy: -2411.772 where: short stacking energy: -940.570 Base-Backbone interact. energy: -1.012 local terms energy: -879.909380 where: bonds (distance) C4'-P energy: -143.104 bonds (distance) P-C4' energy: -140.221 flat angles C4'-P-C4' energy: -192.790 flat angles P-C4'-P energy: -120.557 tors. eta vs tors. theta energy: -283.239 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: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -2978.901484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.901484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.901484 (E_RNA) where: Base-Base interactions energy: -2146.128 where: short stacking energy: -857.526 Base-Backbone interact. energy: -3.097 local terms energy: -829.676400 where: bonds (distance) C4'-P energy: -143.147 bonds (distance) P-C4' energy: -155.304 flat angles C4'-P-C4' energy: -173.182 flat angles P-C4'-P energy: -110.900 tors. eta vs tors. theta energy: -247.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -2592.734269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.734269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.734269 (E_RNA) where: Base-Base interactions energy: -1848.490 where: short stacking energy: -753.913 Base-Backbone interact. energy: 4.602 local terms energy: -748.846238 where: bonds (distance) C4'-P energy: -155.097 bonds (distance) P-C4' energy: -146.447 flat angles C4'-P-C4' energy: -143.619 flat angles P-C4'-P energy: -106.515 tors. eta vs tors. theta energy: -197.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3894.621298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3894.621298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3894.621298 (E_RNA) where: Base-Base interactions energy: -2844.875 where: short stacking energy: -1101.255 Base-Backbone interact. energy: -2.130 local terms energy: -1047.616984 where: bonds (distance) C4'-P energy: -184.934 bonds (distance) P-C4' energy: -177.353 flat angles C4'-P-C4' energy: -221.024 flat angles P-C4'-P energy: -136.064 tors. eta vs tors. theta energy: -328.241 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: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -3799.707855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3799.707855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3799.707855 (E_RNA) where: Base-Base interactions energy: -2772.650 where: short stacking energy: -1071.416 Base-Backbone interact. energy: -1.901 local terms energy: -1025.157453 where: bonds (distance) C4'-P energy: -170.842 bonds (distance) P-C4' energy: -185.576 flat angles C4'-P-C4' energy: -206.867 flat angles P-C4'-P energy: -142.063 tors. eta vs tors. theta energy: -319.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -3734.821124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3734.821124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3734.821124 (E_RNA) where: Base-Base interactions energy: -2721.819 where: short stacking energy: -1042.822 Base-Backbone interact. energy: -1.339 local terms energy: -1011.663411 where: bonds (distance) C4'-P energy: -183.639 bonds (distance) P-C4' energy: -178.615 flat angles C4'-P-C4' energy: -202.327 flat angles P-C4'-P energy: -147.489 tors. eta vs tors. theta energy: -299.594 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: 494 Temperature: 1.050000 Total energy: -3664.226973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3664.226973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3664.226973 (E_RNA) where: Base-Base interactions energy: -2683.348 where: short stacking energy: -1042.067 Base-Backbone interact. energy: -1.497 local terms energy: -979.381944 where: bonds (distance) C4'-P energy: -159.594 bonds (distance) P-C4' energy: -161.331 flat angles C4'-P-C4' energy: -213.850 flat angles P-C4'-P energy: -140.090 tors. eta vs tors. theta energy: -304.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -3579.739231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3579.739231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3579.739231 (E_RNA) where: Base-Base interactions energy: -2611.217 where: short stacking energy: -1006.360 Base-Backbone interact. energy: 1.047 local terms energy: -969.568524 where: bonds (distance) C4'-P energy: -177.794 bonds (distance) P-C4' energy: -174.307 flat angles C4'-P-C4' energy: -191.898 flat angles P-C4'-P energy: -130.314 tors. eta vs tors. theta energy: -295.255 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: 494 Temperature: 1.150000 Total energy: -3465.389759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3465.389759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3465.389759 (E_RNA) where: Base-Base interactions energy: -2515.544 where: short stacking energy: -1003.754 Base-Backbone interact. energy: -0.407 local terms energy: -949.439175 where: bonds (distance) C4'-P energy: -164.166 bonds (distance) P-C4' energy: -164.653 flat angles C4'-P-C4' energy: -200.744 flat angles P-C4'-P energy: -129.586 tors. eta vs tors. theta energy: -290.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -3341.417322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3341.417322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3341.417322 (E_RNA) where: Base-Base interactions energy: -2455.935 where: short stacking energy: -960.138 Base-Backbone interact. energy: -1.516 local terms energy: -883.966479 where: bonds (distance) C4'-P energy: -152.407 bonds (distance) P-C4' energy: -141.117 flat angles C4'-P-C4' energy: -187.687 flat angles P-C4'-P energy: -117.722 tors. eta vs tors. theta energy: -285.033 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: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -3302.209460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.209460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.209460 (E_RNA) where: Base-Base interactions energy: -2429.860 where: short stacking energy: -944.424 Base-Backbone interact. energy: -1.154 local terms energy: -871.195319 where: bonds (distance) C4'-P energy: -126.706 bonds (distance) P-C4' energy: -120.463 flat angles C4'-P-C4' energy: -204.733 flat angles P-C4'-P energy: -133.774 tors. eta vs tors. theta energy: -285.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -2996.903845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.903845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.903845 (E_RNA) where: Base-Base interactions energy: -2168.536 where: short stacking energy: -844.126 Base-Backbone interact. energy: -1.844 local terms energy: -826.523991 where: bonds (distance) C4'-P energy: -142.008 bonds (distance) P-C4' energy: -151.784 flat angles C4'-P-C4' energy: -163.108 flat angles P-C4'-P energy: -135.335 tors. eta vs tors. theta energy: -234.289 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: 7 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -2627.898479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.898479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.898479 (E_RNA) where: Base-Base interactions energy: -1868.783 where: short stacking energy: -754.636 Base-Backbone interact. energy: 2.493 local terms energy: -761.607793 where: bonds (distance) C4'-P energy: -138.809 bonds (distance) P-C4' energy: -148.846 flat angles C4'-P-C4' energy: -168.795 flat angles P-C4'-P energy: -101.110 tors. eta vs tors. theta energy: -204.047 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: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3874.392454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3874.392454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3874.392454 (E_RNA) where: Base-Base interactions energy: -2813.352 where: short stacking energy: -1080.085 Base-Backbone interact. energy: -1.731 local terms energy: -1059.310083 where: bonds (distance) C4'-P energy: -206.151 bonds (distance) P-C4' energy: -174.211 flat angles C4'-P-C4' energy: -224.996 flat angles P-C4'-P energy: -136.415 tors. eta vs tors. theta energy: -317.537 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: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -3833.081395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3833.081395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3833.081395 (E_RNA) where: Base-Base interactions energy: -2817.357 where: short stacking energy: -1090.007 Base-Backbone interact. energy: 1.902 local terms energy: -1017.626502 where: bonds (distance) C4'-P energy: -184.398 bonds (distance) P-C4' energy: -184.763 flat angles C4'-P-C4' energy: -211.147 flat angles P-C4'-P energy: -135.358 tors. eta vs tors. theta energy: -301.961 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: 10 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -3723.814371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3723.814371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3723.814371 (E_RNA) where: Base-Base interactions energy: -2738.555 where: short stacking energy: -1044.520 Base-Backbone interact. energy: -4.087 local terms energy: -981.172877 where: bonds (distance) C4'-P energy: -157.816 bonds (distance) P-C4' energy: -170.364 flat angles C4'-P-C4' energy: -204.954 flat angles P-C4'-P energy: -135.420 tors. eta vs tors. theta energy: -312.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -3679.306438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3679.306438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3679.306438 (E_RNA) where: Base-Base interactions energy: -2683.088 where: short stacking energy: -1017.586 Base-Backbone interact. energy: 0.890 local terms energy: -997.108926 where: bonds (distance) C4'-P energy: -147.110 bonds (distance) P-C4' energy: -167.309 flat angles C4'-P-C4' energy: -211.559 flat angles P-C4'-P energy: -159.618 tors. eta vs tors. theta energy: -311.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -3632.832413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3632.832413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3632.832413 (E_RNA) where: Base-Base interactions energy: -2667.479 where: short stacking energy: -1019.992 Base-Backbone interact. energy: -2.813 local terms energy: -962.540499 where: bonds (distance) C4'-P energy: -175.546 bonds (distance) P-C4' energy: -169.463 flat angles C4'-P-C4' energy: -193.459 flat angles P-C4'-P energy: -128.304 tors. eta vs tors. theta energy: -295.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -3466.919484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3466.919484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3466.919484 (E_RNA) where: Base-Base interactions energy: -2524.517 where: short stacking energy: -965.973 Base-Backbone interact. energy: -1.664 local terms energy: -940.738587 where: bonds (distance) C4'-P energy: -152.770 bonds (distance) P-C4' energy: -167.811 flat angles C4'-P-C4' energy: -194.538 flat angles P-C4'-P energy: -142.644 tors. eta vs tors. theta energy: -282.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -3383.351156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3383.351156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3383.351156 (E_RNA) where: Base-Base interactions energy: -2460.823 where: short stacking energy: -950.106 Base-Backbone interact. energy: -1.669 local terms energy: -920.858953 where: bonds (distance) C4'-P energy: -139.812 bonds (distance) P-C4' energy: -167.760 flat angles C4'-P-C4' energy: -195.102 flat angles P-C4'-P energy: -119.545 tors. eta vs tors. theta energy: -298.641 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: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -3259.154105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.154105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.154105 (E_RNA) where: Base-Base interactions energy: -2360.540 where: short stacking energy: -901.432 Base-Backbone interact. energy: -1.155 local terms energy: -897.459307 where: bonds (distance) C4'-P energy: -138.379 bonds (distance) P-C4' energy: -164.750 flat angles C4'-P-C4' energy: -195.684 flat angles P-C4'-P energy: -128.550 tors. eta vs tors. theta energy: -270.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -2955.408162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.408162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.408162 (E_RNA) where: Base-Base interactions energy: -2159.074 where: short stacking energy: -849.505 Base-Backbone interact. energy: -0.759 local terms energy: -795.575840 where: bonds (distance) C4'-P energy: -123.146 bonds (distance) P-C4' energy: -138.281 flat angles C4'-P-C4' energy: -194.641 flat angles P-C4'-P energy: -113.199 tors. eta vs tors. theta energy: -226.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -2604.507655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.507655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.507655 (E_RNA) where: Base-Base interactions energy: -1865.450 where: short stacking energy: -722.459 Base-Backbone interact. energy: 3.568 local terms energy: -742.625454 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -143.994 flat angles C4'-P-C4' energy: -165.632 flat angles P-C4'-P energy: -95.080 tors. eta vs tors. theta energy: -202.060 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: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3884.001957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3884.001957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3884.001957 (E_RNA) where: Base-Base interactions energy: -2841.581 where: short stacking energy: -1115.637 Base-Backbone interact. energy: -1.566 local terms energy: -1040.855162 where: bonds (distance) C4'-P energy: -189.818 bonds (distance) P-C4' energy: -158.333 flat angles C4'-P-C4' energy: -222.682 flat angles P-C4'-P energy: -147.028 tors. eta vs tors. theta energy: -322.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -3819.015805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3819.015805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3819.015805 (E_RNA) where: Base-Base interactions energy: -2793.378 where: short stacking energy: -1071.721 Base-Backbone interact. energy: -1.819 local terms energy: -1023.818941 where: bonds (distance) C4'-P energy: -181.980 bonds (distance) P-C4' energy: -170.266 flat angles C4'-P-C4' energy: -209.499 flat angles P-C4'-P energy: -144.279 tors. eta vs tors. theta energy: -317.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -3752.380014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3752.380014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3752.380014 (E_RNA) where: Base-Base interactions energy: -2752.495 where: short stacking energy: -1046.969 Base-Backbone interact. energy: -2.321 local terms energy: -997.563991 where: bonds (distance) C4'-P energy: -172.675 bonds (distance) P-C4' energy: -179.578 flat angles C4'-P-C4' energy: -206.110 flat angles P-C4'-P energy: -137.726 tors. eta vs tors. theta energy: -301.475 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: 4 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -3700.836590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3700.836590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3700.836590 (E_RNA) where: Base-Base interactions energy: -2678.855 where: short stacking energy: -1022.509 Base-Backbone interact. energy: -0.420 local terms energy: -1021.562478 where: bonds (distance) C4'-P energy: -180.001 bonds (distance) P-C4' energy: -178.164 flat angles C4'-P-C4' energy: -211.111 flat angles P-C4'-P energy: -139.664 tors. eta vs tors. theta energy: -312.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -3588.474841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3588.474841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3588.474841 (E_RNA) where: Base-Base interactions energy: -2635.654 where: short stacking energy: -1014.110 Base-Backbone interact. energy: 2.158 local terms energy: -954.978270 where: bonds (distance) C4'-P energy: -164.554 bonds (distance) P-C4' energy: -158.243 flat angles C4'-P-C4' energy: -211.492 flat angles P-C4'-P energy: -132.056 tors. eta vs tors. theta energy: -288.634 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: 6, replica: 8 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -3475.244502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3475.244502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3475.244502 (E_RNA) where: Base-Base interactions energy: -2536.847 where: short stacking energy: -963.304 Base-Backbone interact. energy: -0.667 local terms energy: -937.730362 where: bonds (distance) C4'-P energy: -165.796 bonds (distance) P-C4' energy: -181.810 flat angles C4'-P-C4' energy: -196.221 flat angles P-C4'-P energy: -119.557 tors. eta vs tors. theta energy: -274.346 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: 7, replica: 2 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -3409.808649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3409.808649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3409.808649 (E_RNA) where: Base-Base interactions energy: -2491.499 where: short stacking energy: -940.853 Base-Backbone interact. energy: -1.805 local terms energy: -916.504315 where: bonds (distance) C4'-P energy: -150.750 bonds (distance) P-C4' energy: -156.347 flat angles C4'-P-C4' energy: -193.877 flat angles P-C4'-P energy: -127.445 tors. eta vs tors. theta energy: -288.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -3250.975792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.975792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.975792 (E_RNA) where: Base-Base interactions energy: -2408.635 where: short stacking energy: -913.822 Base-Backbone interact. energy: 4.196 local terms energy: -846.536937 where: bonds (distance) C4'-P energy: -130.868 bonds (distance) P-C4' energy: -136.250 flat angles C4'-P-C4' energy: -182.467 flat angles P-C4'-P energy: -127.204 tors. eta vs tors. theta energy: -269.748 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: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -2971.885309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.885309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.885309 (E_RNA) where: Base-Base interactions energy: -2143.839 where: short stacking energy: -848.789 Base-Backbone interact. energy: 2.123 local terms energy: -830.169204 where: bonds (distance) C4'-P energy: -134.699 bonds (distance) P-C4' energy: -145.365 flat angles C4'-P-C4' energy: -197.914 flat angles P-C4'-P energy: -110.843 tors. eta vs tors. theta energy: -241.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -2563.919613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.919613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.919613 (E_RNA) where: Base-Base interactions energy: -1832.824 where: short stacking energy: -718.911 Base-Backbone interact. energy: -0.041 local terms energy: -731.054247 where: bonds (distance) C4'-P energy: -138.837 bonds (distance) P-C4' energy: -131.649 flat angles C4'-P-C4' energy: -161.160 flat angles P-C4'-P energy: -100.832 tors. eta vs tors. theta energy: -198.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3898.475467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.475467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3898.475467 (E_RNA) where: Base-Base interactions energy: -2839.117 where: short stacking energy: -1088.933 Base-Backbone interact. energy: 0.900 local terms energy: -1060.258984 where: bonds (distance) C4'-P energy: -186.612 bonds (distance) P-C4' energy: -181.781 flat angles C4'-P-C4' energy: -219.940 flat angles P-C4'-P energy: -160.056 tors. eta vs tors. theta energy: -311.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -3837.997450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3837.997450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3837.997450 (E_RNA) where: Base-Base interactions energy: -2826.179 where: short stacking energy: -1096.614 Base-Backbone interact. energy: 3.883 local terms energy: -1015.701933 where: bonds (distance) C4'-P energy: -182.950 bonds (distance) P-C4' energy: -150.901 flat angles C4'-P-C4' energy: -226.260 flat angles P-C4'-P energy: -139.340 tors. eta vs tors. theta energy: -316.250 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: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -3763.635762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3763.635762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3763.635762 (E_RNA) where: Base-Base interactions energy: -2769.137 where: short stacking energy: -1058.301 Base-Backbone interact. energy: -3.666 local terms energy: -990.833161 where: bonds (distance) C4'-P energy: -154.864 bonds (distance) P-C4' energy: -174.072 flat angles C4'-P-C4' energy: -212.339 flat angles P-C4'-P energy: -146.678 tors. eta vs tors. theta energy: -302.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -3709.299386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3709.299386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3709.299386 (E_RNA) where: Base-Base interactions energy: -2704.206 where: short stacking energy: -1053.574 Base-Backbone interact. energy: -0.373 local terms energy: -1004.719511 where: bonds (distance) C4'-P energy: -178.521 bonds (distance) P-C4' energy: -165.570 flat angles C4'-P-C4' energy: -220.103 flat angles P-C4'-P energy: -138.268 tors. eta vs tors. theta energy: -302.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -3614.563884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3614.563884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3614.563884 (E_RNA) where: Base-Base interactions energy: -2622.189 where: short stacking energy: -1006.437 Base-Backbone interact. energy: -4.595 local terms energy: -987.779566 where: bonds (distance) C4'-P energy: -162.432 bonds (distance) P-C4' energy: -165.769 flat angles C4'-P-C4' energy: -219.730 flat angles P-C4'-P energy: -151.780 tors. eta vs tors. theta energy: -288.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -3433.069905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3433.069905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3433.069905 (E_RNA) where: Base-Base interactions energy: -2480.758 where: short stacking energy: -987.034 Base-Backbone interact. energy: -3.964 local terms energy: -948.348320 where: bonds (distance) C4'-P energy: -150.844 bonds (distance) P-C4' energy: -162.298 flat angles C4'-P-C4' energy: -201.725 flat angles P-C4'-P energy: -148.931 tors. eta vs tors. theta energy: -284.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -3442.376905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3442.376905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3442.376905 (E_RNA) where: Base-Base interactions energy: -2478.496 where: short stacking energy: -960.390 Base-Backbone interact. energy: 1.772 local terms energy: -965.652284 where: bonds (distance) C4'-P energy: -164.911 bonds (distance) P-C4' energy: -175.027 flat angles C4'-P-C4' energy: -208.886 flat angles P-C4'-P energy: -134.961 tors. eta vs tors. theta energy: -281.868 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: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -3240.837465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.837465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.837465 (E_RNA) where: Base-Base interactions energy: -2382.264 where: short stacking energy: -914.925 Base-Backbone interact. energy: -1.393 local terms energy: -857.180527 where: bonds (distance) C4'-P energy: -126.628 bonds (distance) P-C4' energy: -156.337 flat angles C4'-P-C4' energy: -195.265 flat angles P-C4'-P energy: -115.789 tors. eta vs tors. theta energy: -263.161 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: 6 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -2935.243003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.243003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.243003 (E_RNA) where: Base-Base interactions energy: -2109.086 where: short stacking energy: -818.372 Base-Backbone interact. energy: 2.472 local terms energy: -828.628418 where: bonds (distance) C4'-P energy: -152.864 bonds (distance) P-C4' energy: -145.121 flat angles C4'-P-C4' energy: -183.005 flat angles P-C4'-P energy: -120.607 tors. eta vs tors. theta energy: -227.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -2539.441913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.441913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.441913 (E_RNA) where: Base-Base interactions energy: -1793.612 where: short stacking energy: -737.932 Base-Backbone interact. energy: -2.661 local terms energy: -743.168094 where: bonds (distance) C4'-P energy: -153.470 bonds (distance) P-C4' energy: -146.937 flat angles C4'-P-C4' energy: -156.839 flat angles P-C4'-P energy: -85.702 tors. eta vs tors. theta energy: -200.219 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: 1, replica: 1 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -3889.728744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3889.728744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3889.728744 (E_RNA) where: Base-Base interactions energy: -2823.265 where: short stacking energy: -1082.743 Base-Backbone interact. energy: 3.524 local terms energy: -1069.988365 where: bonds (distance) C4'-P energy: -190.379 bonds (distance) P-C4' energy: -183.336 flat angles C4'-P-C4' energy: -220.997 flat angles P-C4'-P energy: -159.695 tors. eta vs tors. theta energy: -315.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -3825.017864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.017864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.017864 (E_RNA) where: Base-Base interactions energy: -2803.915 where: short stacking energy: -1072.292 Base-Backbone interact. energy: -1.786 local terms energy: -1019.316386 where: bonds (distance) C4'-P energy: -158.543 bonds (distance) P-C4' energy: -182.043 flat angles C4'-P-C4' energy: -221.866 flat angles P-C4'-P energy: -143.080 tors. eta vs tors. theta energy: -313.783 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: 10 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -3741.873181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3741.873181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3741.873181 (E_RNA) where: Base-Base interactions energy: -2734.618 where: short stacking energy: -1053.107 Base-Backbone interact. energy: -4.129 local terms energy: -1003.125899 where: bonds (distance) C4'-P energy: -155.182 bonds (distance) P-C4' energy: -170.450 flat angles C4'-P-C4' energy: -212.530 flat angles P-C4'-P energy: -156.548 tors. eta vs tors. theta energy: -308.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -3707.429556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3707.429556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3707.429556 (E_RNA) where: Base-Base interactions energy: -2721.380 where: short stacking energy: -1035.116 Base-Backbone interact. energy: 7.158 local terms energy: -993.208310 where: bonds (distance) C4'-P energy: -167.785 bonds (distance) P-C4' energy: -167.042 flat angles C4'-P-C4' energy: -207.535 flat angles P-C4'-P energy: -140.620 tors. eta vs tors. theta energy: -310.227 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: 5, replica: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -3622.368316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3622.368316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3622.368316 (E_RNA) where: Base-Base interactions energy: -2656.826 where: short stacking energy: -997.298 Base-Backbone interact. energy: -3.165 local terms energy: -962.377041 where: bonds (distance) C4'-P energy: -158.026 bonds (distance) P-C4' energy: -170.026 flat angles C4'-P-C4' energy: -195.314 flat angles P-C4'-P energy: -141.586 tors. eta vs tors. theta energy: -297.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -3454.264311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.264311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.264311 (E_RNA) where: Base-Base interactions energy: -2519.508 where: short stacking energy: -979.070 Base-Backbone interact. energy: -1.203 local terms energy: -933.552779 where: bonds (distance) C4'-P energy: -155.844 bonds (distance) P-C4' energy: -146.791 flat angles C4'-P-C4' energy: -196.092 flat angles P-C4'-P energy: -139.685 tors. eta vs tors. theta energy: -295.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -3364.054412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.054412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.054412 (E_RNA) where: Base-Base interactions energy: -2479.546 where: short stacking energy: -951.521 Base-Backbone interact. energy: -1.163 local terms energy: -883.344975 where: bonds (distance) C4'-P energy: -147.475 bonds (distance) P-C4' energy: -138.204 flat angles C4'-P-C4' energy: -199.435 flat angles P-C4'-P energy: -115.534 tors. eta vs tors. theta energy: -282.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -3313.519340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.519340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.519340 (E_RNA) where: Base-Base interactions energy: -2403.268 where: short stacking energy: -934.890 Base-Backbone interact. energy: 2.100 local terms energy: -912.351220 where: bonds (distance) C4'-P energy: -149.549 bonds (distance) P-C4' energy: -165.295 flat angles C4'-P-C4' energy: -189.772 flat angles P-C4'-P energy: -131.587 tors. eta vs tors. theta energy: -276.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -2923.057254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.057254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.057254 (E_RNA) where: Base-Base interactions energy: -2110.571 where: short stacking energy: -840.466 Base-Backbone interact. energy: -3.305 local terms energy: -809.180624 where: bonds (distance) C4'-P energy: -142.606 bonds (distance) P-C4' energy: -164.142 flat angles C4'-P-C4' energy: -180.589 flat angles P-C4'-P energy: -90.674 tors. eta vs tors. theta energy: -231.170 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: 7 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -2475.203434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.203434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.203434 (E_RNA) where: Base-Base interactions energy: -1731.045 where: short stacking energy: -696.969 Base-Backbone interact. energy: 0.607 local terms energy: -744.765113 where: bonds (distance) C4'-P energy: -158.556 bonds (distance) P-C4' energy: -143.125 flat angles C4'-P-C4' energy: -160.435 flat angles P-C4'-P energy: -109.472 tors. eta vs tors. theta energy: -173.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3898.614426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3898.614426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3898.614426 (E_RNA) where: Base-Base interactions energy: -2816.074 where: short stacking energy: -1098.302 Base-Backbone interact. energy: -0.826 local terms energy: -1081.714542 where: bonds (distance) C4'-P energy: -190.884 bonds (distance) P-C4' energy: -196.593 flat angles C4'-P-C4' energy: -220.520 flat angles P-C4'-P energy: -153.390 tors. eta vs tors. theta energy: -320.328 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: 499 Temperature: 0.950000 Total energy: -3816.609816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3816.609816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3816.609816 (E_RNA) where: Base-Base interactions energy: -2776.850 where: short stacking energy: -1081.303 Base-Backbone interact. energy: -3.202 local terms energy: -1036.557732 where: bonds (distance) C4'-P energy: -160.046 bonds (distance) P-C4' energy: -206.843 flat angles C4'-P-C4' energy: -217.057 flat angles P-C4'-P energy: -137.344 tors. eta vs tors. theta energy: -315.267 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: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -3740.698735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3740.698735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3740.698735 (E_RNA) where: Base-Base interactions energy: -2731.120 where: short stacking energy: -1064.132 Base-Backbone interact. energy: -2.404 local terms energy: -1007.174302 where: bonds (distance) C4'-P energy: -158.592 bonds (distance) P-C4' energy: -183.255 flat angles C4'-P-C4' energy: -214.032 flat angles P-C4'-P energy: -139.508 tors. eta vs tors. theta energy: -311.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -3697.493127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3697.493127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3697.493127 (E_RNA) where: Base-Base interactions energy: -2714.376 where: short stacking energy: -1028.626 Base-Backbone interact. energy: -1.660 local terms energy: -981.457229 where: bonds (distance) C4'-P energy: -174.223 bonds (distance) P-C4' energy: -169.913 flat angles C4'-P-C4' energy: -200.626 flat angles P-C4'-P energy: -139.346 tors. eta vs tors. theta energy: -297.350 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: 3 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -3601.468869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3601.468869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3601.468869 (E_RNA) where: Base-Base interactions energy: -2652.897 where: short stacking energy: -1027.326 Base-Backbone interact. energy: -0.420 local terms energy: -948.151874 where: bonds (distance) C4'-P energy: -138.924 bonds (distance) P-C4' energy: -158.710 flat angles C4'-P-C4' energy: -208.508 flat angles P-C4'-P energy: -142.723 tors. eta vs tors. theta energy: -299.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -3466.560905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3466.560905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3466.560905 (E_RNA) where: Base-Base interactions energy: -2518.463 where: short stacking energy: -983.999 Base-Backbone interact. energy: -1.927 local terms energy: -946.170819 where: bonds (distance) C4'-P energy: -154.230 bonds (distance) P-C4' energy: -167.788 flat angles C4'-P-C4' energy: -191.278 flat angles P-C4'-P energy: -138.379 tors. eta vs tors. theta energy: -294.495 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: 8 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -3380.069547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3380.069547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3380.069547 (E_RNA) where: Base-Base interactions energy: -2460.274 where: short stacking energy: -951.713 Base-Backbone interact. energy: 3.583 local terms energy: -923.378560 where: bonds (distance) C4'-P energy: -161.107 bonds (distance) P-C4' energy: -161.471 flat angles C4'-P-C4' energy: -202.735 flat angles P-C4'-P energy: -118.519 tors. eta vs tors. theta energy: -279.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -3311.014459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3311.014459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3311.014459 (E_RNA) where: Base-Base interactions energy: -2442.502 where: short stacking energy: -940.450 Base-Backbone interact. energy: -3.537 local terms energy: -864.974498 where: bonds (distance) C4'-P energy: -137.700 bonds (distance) P-C4' energy: -137.959 flat angles C4'-P-C4' energy: -189.170 flat angles P-C4'-P energy: -115.938 tors. eta vs tors. theta energy: -284.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -2978.782277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.782277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.782277 (E_RNA) where: Base-Base interactions energy: -2206.829 where: short stacking energy: -882.584 Base-Backbone interact. energy: 0.697 local terms energy: -772.650823 where: bonds (distance) C4'-P energy: -110.873 bonds (distance) P-C4' energy: -133.391 flat angles C4'-P-C4' energy: -178.890 flat angles P-C4'-P energy: -109.126 tors. eta vs tors. theta energy: -240.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -2540.665611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.665611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.665611 (E_RNA) where: Base-Base interactions energy: -1802.266 where: short stacking energy: -728.604 Base-Backbone interact. energy: -1.120 local terms energy: -737.279640 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -143.122 flat angles C4'-P-C4' energy: -180.059 flat angles P-C4'-P energy: -99.527 tors. eta vs tors. theta energy: -189.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -3896.188720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3896.188720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3896.188720 (E_RNA) where: Base-Base interactions energy: -2841.436 where: short stacking energy: -1093.934 Base-Backbone interact. energy: -3.970 local terms energy: -1050.782929 where: bonds (distance) C4'-P energy: -177.950 bonds (distance) P-C4' energy: -182.172 flat angles C4'-P-C4' energy: -235.133 flat angles P-C4'-P energy: -141.419 tors. eta vs tors. theta energy: -314.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -3784.750153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3784.750153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3784.750153 (E_RNA) where: Base-Base interactions energy: -2770.235 where: short stacking energy: -1073.717 Base-Backbone interact. energy: -1.233 local terms energy: -1013.281503 where: bonds (distance) C4'-P energy: -180.378 bonds (distance) P-C4' energy: -188.300 flat angles C4'-P-C4' energy: -206.041 flat angles P-C4'-P energy: -130.642 tors. eta vs tors. theta energy: -307.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -3793.327507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3793.327507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3793.327507 (E_RNA) where: Base-Base interactions energy: -2743.096 where: short stacking energy: -1065.266 Base-Backbone interact. energy: -1.603 local terms energy: -1048.628964 where: bonds (distance) C4'-P energy: -176.681 bonds (distance) P-C4' energy: -198.844 flat angles C4'-P-C4' energy: -219.155 flat angles P-C4'-P energy: -150.990 tors. eta vs tors. theta energy: -302.960 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: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -3662.400191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3662.400191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3662.400191 (E_RNA) where: Base-Base interactions energy: -2638.323 where: short stacking energy: -1019.966 Base-Backbone interact. energy: -1.963 local terms energy: -1022.114205 where: bonds (distance) C4'-P energy: -175.534 bonds (distance) P-C4' energy: -179.404 flat angles C4'-P-C4' energy: -210.179 flat angles P-C4'-P energy: -146.968 tors. eta vs tors. theta energy: -310.028 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: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -3632.879377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3632.879377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3632.879377 (E_RNA) where: Base-Base interactions energy: -2635.601 where: short stacking energy: -1002.628 Base-Backbone interact. energy: -2.879 local terms energy: -994.399539 where: bonds (distance) C4'-P energy: -180.881 bonds (distance) P-C4' energy: -169.379 flat angles C4'-P-C4' energy: -207.673 flat angles P-C4'-P energy: -142.030 tors. eta vs tors. theta energy: -294.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -3500.844491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3500.844491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3500.844491 (E_RNA) where: Base-Base interactions energy: -2570.548 where: short stacking energy: -1024.778 Base-Backbone interact. energy: -2.552 local terms energy: -927.744535 where: bonds (distance) C4'-P energy: -144.059 bonds (distance) P-C4' energy: -140.241 flat angles C4'-P-C4' energy: -212.644 flat angles P-C4'-P energy: -126.506 tors. eta vs tors. theta energy: -304.294 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: 8 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -3369.190450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.190450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.190450 (E_RNA) where: Base-Base interactions energy: -2482.237 where: short stacking energy: -960.575 Base-Backbone interact. energy: -2.366 local terms energy: -884.587020 where: bonds (distance) C4'-P energy: -159.341 bonds (distance) P-C4' energy: -138.043 flat angles C4'-P-C4' energy: -188.960 flat angles P-C4'-P energy: -117.141 tors. eta vs tors. theta energy: -281.102 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: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -3350.184522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.184522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.184522 (E_RNA) where: Base-Base interactions energy: -2442.694 where: short stacking energy: -934.529 Base-Backbone interact. energy: -1.102 local terms energy: -906.388957 where: bonds (distance) C4'-P energy: -144.076 bonds (distance) P-C4' energy: -148.817 flat angles C4'-P-C4' energy: -195.431 flat angles P-C4'-P energy: -132.292 tors. eta vs tors. theta energy: -285.774 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: 6 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -2867.935885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.935885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.935885 (E_RNA) where: Base-Base interactions energy: -2072.732 where: short stacking energy: -808.311 Base-Backbone interact. energy: 2.509 local terms energy: -797.713706 where: bonds (distance) C4'-P energy: -138.573 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -175.262 flat angles P-C4'-P energy: -123.960 tors. eta vs tors. theta energy: -222.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -2582.640900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.640900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.640900 (E_RNA) where: Base-Base interactions energy: -1835.438 where: short stacking energy: -707.880 Base-Backbone interact. energy: 3.175 local terms energy: -750.377911 where: bonds (distance) C4'-P energy: -137.560 bonds (distance) P-C4' energy: -142.447 flat angles C4'-P-C4' energy: -172.835 flat angles P-C4'-P energy: -120.369 tors. eta vs tors. theta energy: -177.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -3919.609758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3919.609758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3919.609758 (E_RNA) where: Base-Base interactions energy: -2859.225 where: short stacking energy: -1111.941 Base-Backbone interact. energy: -3.240 local terms energy: -1057.144859 where: bonds (distance) C4'-P energy: -171.294 bonds (distance) P-C4' energy: -186.897 flat angles C4'-P-C4' energy: -223.872 flat angles P-C4'-P energy: -152.072 tors. eta vs tors. theta energy: -323.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -3825.642155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3825.642155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3825.642155 (E_RNA) where: Base-Base interactions energy: -2834.574 where: short stacking energy: -1072.930 Base-Backbone interact. energy: 0.230 local terms energy: -991.298460 where: bonds (distance) C4'-P energy: -161.938 bonds (distance) P-C4' energy: -183.834 flat angles C4'-P-C4' energy: -209.667 flat angles P-C4'-P energy: -133.672 tors. eta vs tors. theta energy: -302.187 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: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -3760.163263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3760.163263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3760.163263 (E_RNA) where: Base-Base interactions energy: -2755.479 where: short stacking energy: -1065.041 Base-Backbone interact. energy: -4.894 local terms energy: -999.789607 where: bonds (distance) C4'-P energy: -162.109 bonds (distance) P-C4' energy: -170.920 flat angles C4'-P-C4' energy: -221.524 flat angles P-C4'-P energy: -130.927 tors. eta vs tors. theta energy: -314.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -3715.640664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3715.640664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3715.640664 (E_RNA) where: Base-Base interactions energy: -2742.958 where: short stacking energy: -1050.990 Base-Backbone interact. energy: -1.912 local terms energy: -970.770622 where: bonds (distance) C4'-P energy: -149.255 bonds (distance) P-C4' energy: -168.217 flat angles C4'-P-C4' energy: -193.068 flat angles P-C4'-P energy: -145.283 tors. eta vs tors. theta energy: -314.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -3628.138893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3628.138893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3628.138893 (E_RNA) where: Base-Base interactions energy: -2684.973 where: short stacking energy: -1041.933 Base-Backbone interact. energy: -1.327 local terms energy: -941.838769 where: bonds (distance) C4'-P energy: -141.487 bonds (distance) P-C4' energy: -179.837 flat angles C4'-P-C4' energy: -198.548 flat angles P-C4'-P energy: -131.720 tors. eta vs tors. theta energy: -290.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -3499.376808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3499.376808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3499.376808 (E_RNA) where: Base-Base interactions energy: -2547.903 where: short stacking energy: -970.570 Base-Backbone interact. energy: 0.049 local terms energy: -951.522655 where: bonds (distance) C4'-P energy: -144.778 bonds (distance) P-C4' energy: -168.620 flat angles C4'-P-C4' energy: -198.871 flat angles P-C4'-P energy: -136.451 tors. eta vs tors. theta energy: -302.803 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: 7, replica: 8 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -3352.834301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.834301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.834301 (E_RNA) where: Base-Base interactions energy: -2437.113 where: short stacking energy: -928.783 Base-Backbone interact. energy: 6.124 local terms energy: -921.845007 where: bonds (distance) C4'-P energy: -148.517 bonds (distance) P-C4' energy: -142.684 flat angles C4'-P-C4' energy: -199.172 flat angles P-C4'-P energy: -141.656 tors. eta vs tors. theta energy: -289.816 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: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -3255.300968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.300968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.300968 (E_RNA) where: Base-Base interactions energy: -2409.884 where: short stacking energy: -939.760 Base-Backbone interact. energy: -0.980 local terms energy: -844.437130 where: bonds (distance) C4'-P energy: -119.026 bonds (distance) P-C4' energy: -159.276 flat angles C4'-P-C4' energy: -182.952 flat angles P-C4'-P energy: -110.554 tors. eta vs tors. theta energy: -272.630 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: 9, replica: 6 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -2948.784864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.784864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.784864 (E_RNA) where: Base-Base interactions energy: -2111.273 where: short stacking energy: -829.852 Base-Backbone interact. energy: 1.533 local terms energy: -839.044876 where: bonds (distance) C4'-P energy: -148.322 bonds (distance) P-C4' energy: -150.422 flat angles C4'-P-C4' energy: -180.457 flat angles P-C4'-P energy: -130.099 tors. eta vs tors. theta energy: -229.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -2537.510334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.510334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.510334 (E_RNA) where: Base-Base interactions energy: -1812.807 where: short stacking energy: -742.921 Base-Backbone interact. energy: 6.210 local terms energy: -730.913062 where: bonds (distance) C4'-P energy: -135.242 bonds (distance) P-C4' energy: -155.028 flat angles C4'-P-C4' energy: -142.514 flat angles P-C4'-P energy: -97.786 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 128113891 moves confirmed later: 140556874 all moves confirmed: 268670765 percent of confirmed moves: 33.583846 current total energy: -3696.244323 recalc. total energy: -3696.244323 replica 1 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 122593599 moves confirmed later: 132414187 all moves confirmed: 255007786 percent of confirmed moves: 31.875973 current total energy: -3719.075506 recalc. total energy: -3719.075506 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 160789831 moves confirmed later: 183544852 all moves confirmed: 344334683 percent of confirmed moves: 43.041835 current total energy: -3623.317466 recalc. total energy: -3623.317466 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 124549236 moves confirmed later: 135777006 all moves confirmed: 260326242 percent of confirmed moves: 32.540780 current total energy: -3577.390298 recalc. total energy: -3577.390298 replica 2 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 160485812 moves confirmed later: 182887316 all moves confirmed: 343373128 percent of confirmed moves: 42.921641 current total energy: -3396.806770 recalc. total energy: -3396.806770 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 135947236 moves confirmed later: 150832383 all moves confirmed: 286779619 percent of confirmed moves: 35.847452 current total energy: -3406.781575 recalc. total energy: -3406.781575 replica 8 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 131647435 moves confirmed later: 145899578 all moves confirmed: 277547013 percent of confirmed moves: 34.693377 current total energy: -3258.699848 recalc. total energy: -3258.699848 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 150555987 moves confirmed later: 170970459 all moves confirmed: 321526446 percent of confirmed moves: 40.190806 current total energy: -3091.730332 recalc. total energy: -3091.730332 replica 6 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 147371141 moves confirmed later: 166579275 all moves confirmed: 313950416 percent of confirmed moves: 39.243802 current total energy: -2692.355701 recalc. total energy: -2692.355701 replica 7 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 178323737 moves confirmed later: 207257267 all moves confirmed: 385581004 percent of confirmed moves: 48.197626 current total energy: -2391.904829 recalc. total energy: -2391.904829 out arg RESULTS//1/150dsRNA-437ae4b3_01 Time of doing 8000000 iterations: 41107.711 seconds